The decagonal AlCuRh quasicrystal modelled with five atomic surfaces – high-temperature X-ray diffraction data analysis

Buganski, I.; Strzalka, R.; Wolny, J.

doi:10.1107/S2053273322006325

The decagonal AlCuRh quasicrystal modelled with five atomic surfaces – high-temperature X-ray diffraction data analysis

Five datasets of high-temperature X-ray diffraction performed upon the decagonal phase of AlCuRh are used to derive the temperature-related structural changes. Two sets of atomic structure refinements are conducted, with four and five atomic surfaces, respectively. The fifth atomic surface emerges as a consequence either of the transition to a tiling with different local isomorphism than the Penrose tiling or of the structure being phason disordered. The correlation of the occupancy of the fifth atomic surface with the thermal dependence of the lattice constants is 80%. In addition, the structural refinement with five atomic surfaces allowed a better agreement with the experimental data to be obtained, compared with the model with four atomic surfaces.

Keywords: quasicrystals; phasons; high-temperature studies; X-ray diffraction; random tilings; phase transitions.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S2053273322006325/lu5014sup1.cif Contains datablocks global, AlCuRh_293K_4AS_thick_asymmetric, AlCuRh_1013K_4AS_thick_asymmetric, AlCuRh_1083K_4AS_thick_asymmetric, AlCuRh_1153K_4AS_thick_asymmetric, AlCuRh_1223K_4AS_thick_asymmetric, AlCuRh_293K_5AS_thick_asymmetric, AlCuRh_1013K_5AS_thick_asymmetric, AlCuRh_1083K_5AS_thick_asymmetric, AlCuRh_1153K_5AS_thick_asymmetric, AlCuRh_1223K_5AS_thick_asymmetric
	Structure factor file (CIF format) https://doi.org/10.1107/S2053273322006325/lu5014AlCuRh_293K_4AS_thick_asymmetricsup2.hkl Contains datablock AlCuRh_293K_4AS_thick_asymmetric
	Structure factor file (CIF format) https://doi.org/10.1107/S2053273322006325/lu5014AlCuRh_1013K_4AS_thick_asymmetricsup3.hkl Contains datablock AlCuRh_1013K_4AS_thick_asymmetric
	Structure factor file (CIF format) https://doi.org/10.1107/S2053273322006325/lu5014AlCuRh_1083K_4AS_thick_asymmetricsup4.hkl Contains datablock AlCuRh_1083K_4AS_thick_asymmetric
	Structure factor file (CIF format) https://doi.org/10.1107/S2053273322006325/lu5014AlCuRh_1153K_4AS_thick_asymmetricsup5.hkl Contains datablock AlCuRh_1153K_4AS_thick_asymmetric
	Structure factor file (CIF format) https://doi.org/10.1107/S2053273322006325/lu5014AlCuRh_1223K_4AS_thick_asymmetricsup6.hkl Contains datablock AlCuRh_1223K_4AS_thick_asymmetric
	Structure factor file (CIF format) https://doi.org/10.1107/S2053273322006325/lu5014AlCuRh_293K_5AS_thick_asymmetricsup7.hkl Contains datablock AlCuRh_293K_5AS_thick_asymmetric
	Structure factor file (CIF format) https://doi.org/10.1107/S2053273322006325/lu5014AlCuRh_1013K_5AS_thick_asymmetricsup8.hkl Contains datablock AlCuRh_1013K_5AS_thick_asymmetric
	Structure factor file (CIF format) https://doi.org/10.1107/S2053273322006325/lu5014AlCuRh_1083K_5AS_thick_asymmetricsup9.hkl Contains datablock AlCuRh_1083K_5AS_thick_asymmetric
	Structure factor file (CIF format) https://doi.org/10.1107/S2053273322006325/lu5014AlCuRh_1153K_5AS_thick_asymmetricsup10.hkl Contains datablock AlCuRh_1153K_5AS_thick_asymmetric
	Structure factor file (CIF format) https://doi.org/10.1107/S2053273322006325/lu5014AlCuRh_1223K_5AS_thick_asymmetricsup11.hkl Contains datablock AlCuRh_1223K_5AS_thick_asymmetric

CCDC references: 2179334; 2179335; 2179336; 2179337; 2179338; 2179339; 2179340; 2179341; 2179342; 2179343

Computing details top

(AlCuRh_293K_4AS_thick_asymmetric) top

Crystal data top

P1	α = 72°
a = 17.3095 Å	β = 90°
b = 17.3095 Å	γ = 90°
c = 4.2520 Å

Data collection top

h = →	l = →
k = →

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	B_iso*/B_eq	Occ. (<1)
Rh1	0.000000	0.000000	1.075168	1.615923*
Rh2	−1.941876	6.145747	2.318856	1.616051*	0.715503
Al1	−2.742827	8.439150	1.106954	0.246189*
Rh3	−4.602442	14.164858	1.063000	0.415878*
Al2	−6.624373	20.405702	1.236622	2.264009*
Rh4	−7.382659	22.712040	1.063000	1.255909*
Al3	0.818470	2.432849	1.193387	3.684002*
Al4	2.445762	7.523287	1.063000	0.634811*
Cu1	4.601364	14.161435	1.147749	0.594607*
Cu2	5.348955	16.462338	2.299337	1.070449*	0.727526
Rh5	0.034654	20.323383	1.083448	0.167382*
Al5	−6.561817	25.116123	1.073805	1.048890*
Cu3	0.579760	5.091149	1.063000	1.745047*	0.500000
Rh6	−0.018990	7.735168	1.063000	0.198195*
Al6	0.708915	10.153522	1.063000	0.230060*
Al7	2.615108	12.591459	1.219921	0.804682*
Rh7	−0.090081	12.610043	1.063000	0.897750*
Al8	1.006886	15.105288	1.114484	0.353221*
Al9	−2.027689	14.065536	1.308800	2.393624*
Cu4	3.016878	16.486317	1.063000	0.224321*
Al10	0.875572	17.892321	1.097864	0.467253*
Al11	−2.097941	18.857226	1.174188	0.581364*
Cu5	−4.737156	18.797680	1.063000	0.428270*
Al12	−1.312973	4.042133	2.935561	2.272772*
Rh8	−3.291164	10.128536	3.142275	0.121348*
Al13	−4.114649	12.620655	3.026980	1.704445*
Al14	−5.864455	18.063260	3.137902	1.206617*
Cu6	−7.951352	24.458214	3.112308	1.160580*
Cu7	−8.654795	26.636719	1.933716	1.862642*	0.727526
Rh9	1.268963	3.905359	3.171594	0.492959*
Al15	3.318976	10.214653	2.579598	0.469873*
Cu8	4.061478	12.499943	3.172761	0.629588*
Al16	3.054383	18.129463	3.120662	0.990342*
Al17	−1.282067	21.280058	2.957301	1.530689*	0.500000
Al18	−2.002180	21.803251	1.262801	2.887100*	0.500000
Rh10	−3.322774	22.762657	3.131706	0.586605*
Al19	0.671230	6.471640	3.109163	1.150497*
Cu9	1.356326	8.905915	3.189000	0.440040*
Al20	−1.065869	8.836548	3.149089	0.417806*
Al21	1.454669	11.767672	3.189000	0.444903*
Al22	−1.250165	11.625611	2.932663	1.477944*
Al23	3.294224	14.896470	3.169560	1.057297*
Rh11	1.234779	16.323742	3.189000	0.271503*
Al24	−3.161222	15.069790	3.174059	2.053259*	0.401000
Al25	−1.212201	16.683974	2.972240	1.324762*
Cu10	0.225786	18.958842	3.176705	1.495330*	0.500000
Rh12	−3.127096	17.951262	3.169022	0.293570*
Al26	−4.041949	20.319017	3.058957	0.808112*
Al27	−5.931486	22.683839	3.111203	0.619547*
Al28	−4.675131	21.633325	1.063000	0.155892*
Al29	−0.495083	1.524004	3.153973	2.011945*	0.400000
Al30	−3.558996	11.514435	1.253981	1.272019*	0.500000
Al31	−3.821895	16.598726	1.120129	1.823000*
Al32	−0.354839	14.174974	3.189000	0.543209*
Rh13	−2.012118	6.206853	1.421816	1.437566*	0.284497
Cu11	5.348955	16.462338	1.429969	0.813314*	0.210000
Cu12	−8.654795	26.636719	2.790375	1.833382*	0.210000
Rh1	0.000000	0.000000	1.073714	2.989863*
Al1	−1.941876	1.515468	1.375517	2.973225*
Al2	−2.742827	1.991295	1.095081	2.222662*
Al3	−4.602442	3.343869	1.163769	2.635551*
Al4	−6.624373	4.823999	1.246794	0.775118*
Cu13	−7.382659	5.357976	1.113331	1.119010*	0.000000
Cu14	0.818470	2.465753	2.073536	1.999093*	0.000000
Rh2	2.445762	7.524813	1.105228	0.524737*	0.000000
Al5	4.601364	14.161476	1.262801	2.102291*	0.500000
Al6	5.348955	16.462358	1.145487	1.812955*
Cu15	0.034654	12.601280	1.063000	1.641862*	0.000000
Rh3	−6.561817	7.808738	1.121306	0.366552*	0.000000
Al7	0.579760	3.828052	1.063000	0.408635*
Al8	−0.018990	4.758272	1.248779	0.927656*
Al9	0.708915	7.108600	1.083140	0.472242*
Rh4	2.615108	10.856193	2.313640	0.471465*	0.000000
Cu16	−0.090081	7.687538	1.063000	2.185232*	0.000000
Rh5	1.006886	10.519246	1.063000	0.523349*	0.000000
Cu17	−2.027689	6.309287	3.094722	2.584795*	0.000000
Cu18	3.016878	13.735657	1.942461	2.487774*	0.727526
Rh6	0.875572	12.087360	3.101279	0.396924*	0.000000
Al10	−2.097941	9.188129	3.011714	0.712608*
Cu19	−4.737156	6.048744	3.172703	1.073729*
Al11	−1.312973	0.954683	3.159281	1.932048*
Al12	−3.291164	2.390784	2.950827	2.633760*	0.500000
Rh7	−4.114649	2.962933	3.149928	0.541288*	0.000000
Al13	−5.864455	4.269628	3.162054	0.775348*
Al14	−7.951352	5.768632	3.090462	0.749780*
Cu20	−8.654795	6.288076	3.189000	0.261011*
Al15	1.268963	3.905400	3.189000	3.226382*	0.500000
Al16	3.318976	10.214693	3.147961	1.012163*
Al17	4.061478	12.499943	3.060652	0.735639*
Al18	3.054383	14.795266	3.028798	2.189205*
Cu21	−1.282067	11.644638	3.177197	0.561042*	0.000000
Al19	−2.002180	11.121446	3.160827	2.512092*	0.400000
Cu22	−3.322774	10.161940	1.470832	2.139338*	0.000000
Cu23	0.671230	4.788771	2.755476	1.809567*	0.000000
Cu24	1.356326	7.098615	2.165916	2.671155*	0.037493

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Rh1	1.615923	1.615923	3.320900	0.000000	0.000000	0.000000
Rh2	1.616051	1.616051	1.834467	0.000000	0.000000	0.000000
Al1	0.246189	0.246189	0.923518	0.000000	0.000000	0.000000
Rh3	0.415878	0.415878	0.245348	0.000000	0.000000	0.000000
Al2	2.264009	2.264009	4.896370	0.000000	0.000000	0.000000
Rh4	1.255909	1.255909	0.602225	0.000000	0.000000	0.000000
Al3	3.684002	3.684002	4.397286	0.000000	0.000000	0.000000
Al4	0.634811	0.634811	0.172663	0.000000	0.000000	0.000000
Cu1	0.594607	0.594607	0.797802	0.000000	0.000000	0.000000
Cu2	1.070449	1.070449	0.791951	0.000000	0.000000	0.000000
Rh5	0.167382	0.167382	0.201733	0.000000	0.000000	0.000000
Al5	1.048890	1.048890	1.352354	0.000000	0.000000	0.000000
Cu3	1.745047	1.745047	1.444623	0.000000	0.000000	0.000000
Rh6	0.198195	0.198195	1.076675	0.000000	0.000000	0.000000
Al6	0.230060	0.230060	0.248262	0.000000	0.000000	0.000000
Al7	0.804682	0.804682	1.660905	0.000000	0.000000	0.000000
Rh7	0.897750	0.897750	1.076259	0.000000	0.000000	0.000000
Al8	0.353221	0.353221	0.101264	0.000000	0.000000	0.000000
Al9	2.393624	2.393624	1.855208	0.000000	0.000000	0.000000
Cu4	0.224321	0.224321	1.420912	0.000000	0.000000	0.000000
Al10	0.467253	0.467253	2.384229	0.000000	0.000000	0.000000
Al11	0.581364	0.581364	1.419838	0.000000	0.000000	0.000000
Cu5	0.428270	0.428270	1.645645	0.000000	0.000000	0.000000
Al12	2.272772	2.272772	2.100531	0.000000	0.000000	0.000000
Rh8	0.121348	0.121348	0.236580	0.000000	0.000000	0.000000
Al13	1.704445	1.704445	1.806167	0.000000	0.000000	0.000000
Al14	1.206617	1.206617	0.954780	0.000000	0.000000	0.000000
Cu6	1.160580	1.160580	1.461360	0.000000	0.000000	0.000000
Cu7	1.862642	1.862642	0.993289	0.000000	0.000000	0.000000
Rh9	0.492959	0.492959	0.779555	0.000000	0.000000	0.000000
Al15	0.469873	0.469873	3.244408	0.000000	0.000000	0.000000
Cu8	0.629588	0.629588	1.057415	0.000000	0.000000	0.000000
Al16	0.990342	0.990342	0.598260	0.000000	0.000000	0.000000
Al17	1.530689	1.530689	4.371483	0.000000	0.000000	0.000000
Al18	2.887100	2.887100	4.371483	0.000000	0.000000	0.000000
Rh10	0.586605	0.586605	1.356506	0.000000	0.000000	0.000000
Al19	1.150497	1.150497	1.139783	0.000000	0.000000	0.000000
Cu9	0.440040	0.440040	0.929824	0.000000	0.000000	0.000000
Al20	0.417806	0.417806	0.577891	0.000000	0.000000	0.000000
Al21	0.444903	0.444903	0.198637	0.000000	0.000000	0.000000
Al22	1.477944	1.477944	3.440814	0.000000	0.000000	0.000000
Al23	1.057297	1.057297	1.528530	0.000000	0.000000	0.000000
Rh11	0.271503	0.271503	0.780297	0.000000	0.000000	0.000000
Al24	2.053259	2.053259	2.341373	0.000000	0.000000	0.000000
Al25	1.324762	1.324762	2.849196	0.000000	0.000000	0.000000
Cu10	1.495330	1.495330	0.935033	0.000000	0.000000	0.000000
Rh12	0.293570	0.293570	1.151603	0.000000	0.000000	0.000000
Al26	0.808112	0.808112	4.428804	0.000000	0.000000	0.000000
Al27	0.619547	0.619547	2.445458	0.000000	0.000000	0.000000
Al28	0.155892	0.155892	0.147643	0.000000	0.000000	0.000000
Al29	2.011945	2.011945	2.061504	0.000000	0.000000	0.000000
Al30	1.272019	1.272019	0.497158	0.000000	0.000000	0.000000
Al31	1.823000	1.823000	1.420260	0.000000	0.000000	0.000000
Al32	0.543209	0.543209	0.547959	0.000000	0.000000	0.000000
Rh13	1.437566	1.437566	0.672997	0.000000	0.000000	0.000000
Cu11	0.813314	0.813314	0.721061	0.000000	0.000000	0.000000
Cu12	1.833382	1.833382	1.640823	0.000000	0.000000	0.000000
Rh1	2.989863	2.989863	3.703801	0.000000	0.000000	0.000000
Al1	2.973225	2.973225	2.018994	0.000000	0.000000	0.000000
Al2	2.222662	2.222662	1.404069	0.000000	0.000000	0.000000
Al3	2.635551	2.635551	0.985924	0.000000	0.000000	0.000000
Al4	0.775118	0.775118	3.068594	0.000000	0.000000	0.000000
Cu1	1.119010	1.119010	1.361296	0.000000	0.000000	0.000000
Cu2	1.999093	1.999093	2.405767	0.000000	0.000000	0.000000
Rh2	0.524737	0.524737	0.911515	0.000000	0.000000	0.000000
Al5	2.102291	2.102291	4.340635	0.000000	0.000000	0.000000
Al6	1.812955	1.812955	0.693231	0.000000	0.000000	0.000000
Cu3	1.641862	1.641862	0.565263	0.000000	0.000000	0.000000
Rh3	0.366552	0.366552	0.297121	0.000000	0.000000	0.000000
Al7	0.408635	0.408635	0.267587	0.000000	0.000000	0.000000
Al8	0.927656	0.927656	0.542569	0.000000	0.000000	0.000000
Al9	0.472242	0.472242	0.943270	0.000000	0.000000	0.000000
Rh4	0.471465	0.471465	0.735525	0.000000	0.000000	0.000000
Cu4	2.185232	2.185232	0.301992	0.000000	0.000000	0.000000
Rh5	0.523349	0.523349	0.305559	0.000000	0.000000	0.000000
Cu5	2.584795	2.584795	0.224350	0.000000	0.000000	0.000000
Cu6	2.487774	2.487774	1.409713	0.000000	0.000000	0.000000
Rh6	0.396924	0.396924	0.446714	0.000000	0.000000	0.000000
Al10	0.712608	0.712608	3.389427	0.000000	0.000000	0.000000
Cu7	1.073729	1.073729	1.114461	0.000000	0.000000	0.000000
Al11	1.932048	1.932048	1.506491	0.000000	0.000000	0.000000
Al12	2.633760	2.633760	3.119739	0.000000	0.000000	0.000000
Rh7	0.541288	0.541288	0.513683	0.000000	0.000000	0.000000
Al13	0.775348	0.775348	0.618037	0.000000	0.000000	0.000000
Al14	0.749780	0.749780	3.478934	0.000000	0.000000	0.000000
Cu8	0.261011	0.261011	0.704012	0.000000	0.000000	0.000000
Al15	3.226382	3.226382	0.164146	0.000000	0.000000	0.000000
Al16	1.012163	1.012163	0.388273	0.000000	0.000000	0.000000
Al17	0.735639	0.735639	1.241293	0.000000	0.000000	0.000000
Al18	2.189205	2.189205	1.470894	0.000000	0.000000	0.000000
Cu9	0.561042	0.561042	1.651580	0.000000	0.000000	0.000000
Al19	2.512092	2.512092	1.379160	0.000000	0.000000	0.000000
Cu10	2.139338	2.139338	1.910889	0.000000	0.000000	0.000000
Cu11	1.809567	1.809567	1.752385	0.000000	0.000000	0.000000
Cu12	2.671155	2.671155	1.836953	0.000000	0.000000	0.000000

(AlCuRh_1013K_4AS_thick_asymmetric) top

Crystal data top

P1	α = 72°
a = 17.3095 Å	β = 90°
b = 17.3095 Å	γ = 90°
c = 4.2820 Å

Data collection top

h = →	l = →
k = →

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	B_iso*/B_eq	Occ. (<1)
Rh1	0.000000	0.000000	1.082754	1.476677*
Rh2	−1.946298	6.185038	2.335217	4.970859*	0.715503
Al1	−2.744418	8.439634	1.114764	1.530704*
Rh3	−4.617683	14.211766	1.070500	1.266033*
Al2	−6.629987	20.427260	1.245347	2.948271*
Rh4	−7.388770	22.723866	1.070500	1.000213*
Al3	0.822546	2.445394	1.201807	4.200683*
Al4	2.420259	7.444795	1.070500	0.893620*
Cu1	4.605194	14.173222	1.155847	2.431092*
Cu2	5.348955	16.462338	2.315560	1.582402*	0.727526
Rh5	0.068865	20.298528	1.091092	0.369558*
Al5	−6.556160	25.112012	1.081381	2.622473*
Cu3	0.522687	5.107973	1.070500	2.359853*	0.500000
Rh6	−0.053780	7.717489	1.070500	1.637610*
Al6	0.700386	10.119550	1.070500	1.522750*
Al7	2.597337	12.555411	1.228528	0.702713*
Rh7	−0.061682	12.607256	1.070500	1.715226*
Al8	1.074310	15.038333	1.122347	0.763461*
Al9	−2.046190	13.981161	1.318034	2.844492*
Cu4	3.003774	16.457867	1.070500	2.550025*
Al10	0.854138	17.897740	1.105610	5.200325*
Al11	−2.052732	18.787692	1.182472	1.129648*
Cu5	−4.733894	18.753860	1.070500	0.553383*
Al12	−1.322902	4.071934	2.956273	1.488968*
Rh8	−3.287280	10.117208	3.164445	2.129395*
Al13	−4.140585	12.606839	3.048337	2.737862*
Al14	−5.962677	18.352352	3.160041	1.811247*
Cu6	−7.938296	24.415133	3.134267	2.102216*
Cu7	−8.654795	26.636719	1.947359	2.135372*	0.727526
Rh9	1.292423	3.977563	3.193971	0.498068*
Al15	3.326636	10.238227	2.597798	1.781776*
Cu8	4.058429	12.490560	3.195146	1.691764*
Al16	3.034637	18.143809	3.142680	1.330778*
Al17	−1.231248	21.243135	2.978166	3.622853*	0.500000
Al18	−2.073655	21.855180	1.271711	3.217733*	0.500000
Rh10	−3.308322	22.752157	3.153802	1.161646*
Al19	0.618160	6.444634	3.131100	3.886835*
Cu9	1.369571	8.913914	3.211500	1.382078*
Al20	−1.071730	8.916157	3.171307	0.742956*
Al21	1.483792	11.815536	3.211500	0.411811*
Al22	−1.129678	11.480160	2.953354	4.863478*
Al23	3.283354	14.874842	3.191923	3.814348*
Rh11	1.229389	16.332725	3.211500	1.410234*
Al24	−3.168076	14.939859	3.196454	1.812876*	0.401000
Al25	−1.209260	16.712258	2.993211	2.019040*
Cu10	0.172878	18.913262	3.199118	2.182866*	0.500000
Rh12	−3.129627	17.948747	3.191381	1.628871*
Al26	−4.000157	20.306092	3.080539	2.464502*
Al27	−5.946733	22.654707	3.133154	1.093846*
Al28	−4.719467	21.702347	1.070500	2.104670*
Al29	−0.519097	1.597980	3.176226	2.020679*	0.400000
Al30	−3.471289	11.571277	1.262828	2.027993*	0.500000
Al31	−3.818278	16.565799	1.128032	5.715309*
Al32	−0.357592	14.102519	3.211500	1.613320*
Rh13	−2.009526	6.188141	1.431848	1.850412*	0.284497
Cu11	5.348955	16.462338	1.440058	1.893834*	0.210000
Cu12	−8.654795	26.636719	2.810062	2.960863*	0.210000
Rh1	0.000000	0.000000	1.081290	0.709543*
Al1	−1.946298	1.534553	1.385222	4.146525*
Al2	−2.744418	1.989724	1.102807	2.179793*
Al3	−4.617683	3.354943	1.171980	2.588143*
Al4	−6.629987	4.830723	1.255591	1.700439*
Cu13	−7.388770	5.358102	1.121186	3.222197*	0.000000
Cu14	0.822546	2.478297	2.088166	2.914519*	0.000000
Rh2	2.420259	7.446321	1.113026	2.503656*	0.000000
Al5	4.605194	14.173263	1.271711	2.989120*	0.500000
Al6	5.348955	16.462358	1.153569	2.781517*
Cu15	0.068865	12.626136	1.070500	2.775142*	0.000000
Rh3	−6.556160	7.812849	1.129217	1.246468*	0.000000
Al7	0.522687	3.771356	1.070500	2.698044*
Al8	−0.053780	4.706448	1.257590	2.775778*
Al9	0.700386	7.077579	1.090782	2.576527*
Rh4	2.597337	10.813023	2.329964	2.177164*	0.000000
Cu16	−0.061682	7.719201	1.070500	4.280694*	0.000000
Rh5	1.074310	10.557128	1.070500	1.025162*	0.000000
Cu17	−2.046190	6.235392	3.116557	2.487637*	0.000000
Cu18	3.003774	13.702669	1.956166	2.151488*	0.727526
Rh6	0.854138	12.065511	3.123160	0.648254*	0.000000
Al10	−2.052732	9.198300	3.032963	1.914993*
Cu19	−4.733894	6.025497	3.195088	1.897234*
Al11	−1.322902	0.961429	3.181571	3.582822*
Al12	−3.287280	2.388349	2.971647	3.767662*	0.500000
Rh7	−4.140585	2.923905	3.172152	3.025133*	0.000000
Al13	−5.962677	4.332830	3.184364	3.149610*
Al14	−7.938296	5.757355	3.112267	1.475085*
Cu20	−8.654795	6.288076	3.211500	1.989265*
Al15	1.292423	3.977604	3.211500	3.170372*	0.500000
Al16	3.326636	10.238267	3.170171	3.180331*
Al17	4.058429	12.490560	3.082246	2.566765*
Al18	3.034637	14.780921	3.050168	3.564878*
Cu21	−1.231248	11.681561	3.199614	1.973550*	0.000000
Al19	−2.073655	11.069516	3.183128	2.194190*	0.400000
Cu22	−3.308322	10.172440	1.481209	3.164606*	0.000000
Cu23	0.618160	4.709694	2.774917	3.003791*	0.000000
Cu24	1.369571	7.119129	2.181198	3.199590*	0.037493

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Rh1	1.476677	1.476677	2.175126	0.000000	0.000000	0.000000
Rh2	4.970859	4.970859	5.017465	0.000000	0.000000	0.000000
Al1	1.530704	1.530704	2.595389	0.000000	0.000000	0.000000
Rh3	1.266033	1.266033	3.003485	0.000000	0.000000	0.000000
Al2	2.948271	2.948271	4.128019	0.000000	0.000000	0.000000
Rh4	1.000213	1.000213	2.782709	0.000000	0.000000	0.000000
Al3	4.200683	4.200683	4.505159	0.000000	0.000000	0.000000
Al4	0.893620	0.893620	2.141067	0.000000	0.000000	0.000000
Cu1	2.431092	2.431092	1.744542	0.000000	0.000000	0.000000
Cu2	1.582402	1.582402	2.755451	0.000000	0.000000	0.000000
Rh5	0.369558	0.369558	0.848907	0.000000	0.000000	0.000000
Al5	2.622473	2.622473	2.915458	0.000000	0.000000	0.000000
Cu3	2.359853	2.359853	1.336342	0.000000	0.000000	0.000000
Rh6	1.637610	1.637610	1.209324	0.000000	0.000000	0.000000
Al6	1.522750	1.522750	2.141396	0.000000	0.000000	0.000000
Al7	0.702713	0.702713	2.901516	0.000000	0.000000	0.000000
Rh7	1.715226	1.715226	2.316794	0.000000	0.000000	0.000000
Al8	0.763461	0.763461	0.846151	0.000000	0.000000	0.000000
Al9	2.844492	2.844492	4.821425	0.000000	0.000000	0.000000
Cu4	2.550025	2.550025	2.432062	0.000000	0.000000	0.000000
Al10	5.200325	5.200325	3.282944	0.000000	0.000000	0.000000
Al11	1.129648	1.129648	2.590588	0.000000	0.000000	0.000000
Cu5	0.553383	0.553383	1.364808	0.000000	0.000000	0.000000
Al12	1.488968	1.488968	3.256745	0.000000	0.000000	0.000000
Rh8	2.129395	2.129395	1.145279	0.000000	0.000000	0.000000
Al13	2.737862	2.737862	3.556389	0.000000	0.000000	0.000000
Al14	1.811247	1.811247	2.559251	0.000000	0.000000	0.000000
Cu6	2.102216	2.102216	3.854265	0.000000	0.000000	0.000000
Cu7	2.135372	2.135372	3.243682	0.000000	0.000000	0.000000
Rh9	0.498068	0.498068	0.879269	0.000000	0.000000	0.000000
Al15	1.781776	1.781776	5.258501	0.000000	0.000000	0.000000
Cu8	1.691764	1.691764	1.666147	0.000000	0.000000	0.000000
Al16	1.330778	1.330778	2.882374	0.000000	0.000000	0.000000
Al17	3.622853	3.622853	3.409564	0.000000	0.000000	0.000000
Al18	3.217733	3.217733	3.749906	0.000000	0.000000	0.000000
Rh10	1.161646	1.161646	1.564982	0.000000	0.000000	0.000000
Al19	3.886835	3.886835	1.597970	0.000000	0.000000	0.000000
Cu9	1.382078	1.382078	3.664576	0.000000	0.000000	0.000000
Al20	0.742956	0.742956	3.088309	0.000000	0.000000	0.000000
Al21	0.411811	0.411811	0.945544	0.000000	0.000000	0.000000
Al22	4.863478	4.863478	4.595556	0.000000	0.000000	0.000000
Al23	3.814348	3.814348	2.828078	0.000000	0.000000	0.000000
Rh11	1.410234	1.410234	0.975532	0.000000	0.000000	0.000000
Al24	1.812876	1.812876	2.623388	0.000000	0.000000	0.000000
Al25	2.019040	2.019040	4.575898	0.000000	0.000000	0.000000
Cu10	2.182866	2.182866	0.596821	0.000000	0.000000	0.000000
Rh12	1.628871	1.628871	2.150368	0.000000	0.000000	0.000000
Al26	2.464502	2.464502	3.773767	0.000000	0.000000	0.000000
Al27	1.093846	1.093846	1.665175	0.000000	0.000000	0.000000
Al28	2.104670	2.104670	1.341330	0.000000	0.000000	0.000000
Al29	2.020679	2.020679	1.596529	0.000000	0.000000	0.000000
Al30	2.027993	2.027993	1.194193	0.000000	0.000000	0.000000
Al31	5.715309	5.715309	3.286027	0.000000	0.000000	0.000000
Al32	1.613320	1.613320	0.968304	0.000000	0.000000	0.000000
Rh13	1.850412	1.850412	3.533564	0.000000	0.000000	0.000000
Cu11	1.893834	1.893834	4.025073	0.000000	0.000000	0.000000
Cu12	2.960863	2.960863	3.794575	0.000000	0.000000	0.000000
Rh1	0.709543	0.709543	1.292104	0.000000	0.000000	0.000000
Al1	4.146525	4.146525	4.183556	0.000000	0.000000	0.000000
Al2	2.179793	2.179793	3.021217	0.000000	0.000000	0.000000
Al3	2.588143	2.588143	3.286171	0.000000	0.000000	0.000000
Al4	1.700439	1.700439	3.508737	0.000000	0.000000	0.000000
Cu1	3.222197	3.222197	2.712411	0.000000	0.000000	0.000000
Cu2	2.914519	2.914519	3.149814	0.000000	0.000000	0.000000
Rh2	2.503656	2.503656	2.958964	0.000000	0.000000	0.000000
Al5	2.989120	2.989120	3.073060	0.000000	0.000000	0.000000
Al6	2.781517	2.781517	3.193858	0.000000	0.000000	0.000000
Cu3	2.775142	2.775142	1.283247	0.000000	0.000000	0.000000
Rh3	1.246468	1.246468	2.516291	0.000000	0.000000	0.000000
Al7	2.698044	2.698044	1.881936	0.000000	0.000000	0.000000
Al8	2.775778	2.775778	3.273542	0.000000	0.000000	0.000000
Al9	2.576527	2.576527	2.807352	0.000000	0.000000	0.000000
Rh4	2.177164	2.177164	5.028510	0.000000	0.000000	0.000000
Cu4	4.280694	4.280694	1.541736	0.000000	0.000000	0.000000
Rh5	1.025162	1.025162	1.060047	0.000000	0.000000	0.000000
Cu5	2.487637	2.487637	1.850507	0.000000	0.000000	0.000000
Cu6	2.151488	2.151488	3.249368	0.000000	0.000000	0.000000
Rh6	0.648254	0.648254	1.291771	0.000000	0.000000	0.000000
Al10	1.914993	1.914993	2.981744	0.000000	0.000000	0.000000
Cu7	1.897234	1.897234	1.666532	0.000000	0.000000	0.000000
Al11	3.582822	3.582822	3.436161	0.000000	0.000000	0.000000
Al12	3.767662	3.767662	3.807649	0.000000	0.000000	0.000000
Rh7	3.025133	3.025133	3.096133	0.000000	0.000000	0.000000
Al13	3.149610	3.149610	2.546338	0.000000	0.000000	0.000000
Al14	1.475085	1.475085	3.548263	0.000000	0.000000	0.000000
Cu8	1.989265	1.989265	2.470659	0.000000	0.000000	0.000000
Al15	3.170372	3.170372	2.957995	0.000000	0.000000	0.000000
Al16	3.180331	3.180331	2.768198	0.000000	0.000000	0.000000
Al17	2.566765	2.566765	3.029460	0.000000	0.000000	0.000000
Al18	3.564878	3.564878	3.558860	0.000000	0.000000	0.000000
Cu9	1.973550	1.973550	2.234883	0.000000	0.000000	0.000000
Al19	2.194190	2.194190	1.023416	0.000000	0.000000	0.000000
Cu10	3.164606	3.164606	3.700410	0.000000	0.000000	0.000000
Cu11	3.003791	3.003791	3.866784	0.000000	0.000000	0.000000
Cu12	3.199590	3.199590	3.427027	0.000000	0.000000	0.000000

(AlCuRh_1083K_4AS_thick_asymmetric) top

Crystal data top

P1	α = 72°
a = 17.3095 Å	β = 90°
b = 17.3095 Å	γ = 90°
c = 4.2790 Å

Data collection top

h = →	l = →
k = →

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	B_iso*/B_eq	Occ. (<1)
Rh1	0.000000	0.000000	1.088866	1.639204*
Rh2	−1.951445	6.130947	2.348399	4.852835*	0.715503
Al1	−2.750036	8.448234	1.121057	2.290385*
Rh3	−4.604969	14.172636	1.076543	0.601973*
Al2	−6.618866	20.390794	1.252376	2.828525*
Rh4	−7.399141	22.765729	1.076543	1.454969*
Al3	0.815122	2.422544	1.208591	2.773433*
Al4	2.424741	7.458590	1.076543	1.806809*
Cu1	4.622150	14.225408	1.162371	1.491897*
Cu2	5.348955	16.462338	2.328631	1.528141*	0.727526
Rh5	−0.012272	20.357478	1.097252	2.163900*
Al5	−6.476829	25.054375	1.087486	3.597750*
Cu3	0.530354	5.124644	1.076543	1.893263*	0.500000
Rh6	−0.016637	7.708369	1.076543	1.422840*
Al6	0.736388	10.111178	1.076543	1.108969*
Al7	2.594518	12.532512	1.235463	1.108449*
Rh7	−0.107744	12.569054	1.076543	1.183020*
Al8	1.111964	15.029880	1.128683	0.982435*
Al9	−2.023280	14.002019	1.325475	1.271319*
Cu4	3.026758	16.410340	1.076543	2.023270*
Al10	0.794454	17.871369	1.111851	3.859392*
Al11	−2.027651	18.706876	1.189147	0.924636*
Cu5	−4.724811	18.754912	1.076543	1.022209*
Al12	−1.327328	4.085161	2.972961	1.285832*
Rh8	−3.282113	10.101306	3.182308	0.423577*
Al13	−4.315796	12.580139	3.065544	2.930954*
Al14	−5.999130	18.463323	3.177880	2.087196*
Cu6	−7.936925	24.407524	3.151960	3.257956*
Cu7	−8.654795	26.636719	1.958352	2.324035*	0.727526
Rh9	1.267240	3.900058	3.212000	0.882078*
Al15	3.312242	10.193927	2.612462	1.493368*
Cu8	4.062532	12.503186	3.213183	1.066180*
Al16	3.000945	18.168288	3.160420	1.399204*
Al17	−1.220703	21.235474	2.994978	2.131814*	0.500000
Al18	−2.047370	21.836083	1.278890	3.005544*	0.500000
Rh10	−3.380890	22.804880	3.171604	1.436013*
Al19	0.601957	6.479522	3.148774	4.034440*
Cu9	1.312448	8.934580	3.229629	1.299934*
Al20	−1.101403	8.868144	3.189210	0.775470*
Al21	1.426327	11.753162	3.229629	0.942597*
Al22	−0.920199	11.262218	2.970026	2.907541*
Al23	3.314146	14.956451	3.209941	2.397453*
Rh11	1.209420	16.317667	3.229629	1.297806*
Al24	−3.134610	14.896193	3.214497	2.058695*	0.401000
Al25	−1.184386	16.725685	3.010107	1.987962*
Cu10	0.183070	18.931151	3.217177	2.006793*	0.500000
Rh12	−3.119175	17.951083	3.209396	1.636012*
Al26	−3.942166	20.287461	3.097929	3.075125*
Al27	−5.958855	22.621821	3.150840	1.372934*
Al28	−4.702743	21.697298	1.076543	2.726726*
Al29	−0.525983	1.619140	3.194156	1.980296*	0.400000
Al30	−3.458577	11.535445	1.269957	2.137763*	0.500000
Al31	−3.631960	16.512680	1.134400	5.621956*
Al32	−0.329416	14.149869	3.229629	0.671206*
Rh13	−2.015057	6.203189	1.439930	1.923489*	0.284497
Cu11	5.348955	16.462338	1.448187	2.973422*	0.210000
Cu12	−8.654795	26.636719	2.825925	3.300096*	0.210000
Rh1	0.000000	0.000000	1.087393	2.090234*
Al1	−1.951445	1.495072	1.393041	2.906196*
Al2	−2.750036	1.988434	1.109033	3.045587*
Al3	−4.604969	3.345706	1.178596	3.442281*
Al4	−6.618866	4.821260	1.262678	1.481075*
Cu13	−7.399141	5.371782	1.127515	2.734765*	0.000000
Cu14	0.815122	2.455447	2.099953	2.409310*	0.000000
Rh2	2.424741	7.460116	1.119309	1.526707*	0.000000
Al5	4.622150	14.225448	1.278890	2.947927*	0.500000
Al6	5.348955	16.462358	1.160081	2.012813*
Cu15	−0.012272	12.567186	1.076543	2.780597*	0.000000
Rh3	−6.476829	7.870486	1.135591	1.110788*	0.000000
Al7	0.530354	3.790672	1.076543	3.215571*
Al8	−0.016637	4.744476	1.264689	1.945386*
Al9	0.736388	7.114727	1.096940	2.527563*
Rh4	2.594518	10.795557	2.343117	2.245042*	0.000000
Cu16	−0.107744	7.641442	1.076543	3.226260*	0.000000
Rh5	1.111964	10.596168	1.076543	1.013480*	0.000000
Cu17	−2.023280	6.275215	3.134149	1.249920*	0.000000
Cu18	3.026758	13.700316	1.967209	2.293039*	0.727526
Rh6	0.794454	11.979050	3.140790	1.230759*	0.000000
Al10	−2.027651	9.177839	3.050084	3.148576*
Cu19	−4.724811	6.036825	3.213124	1.223238*
Al11	−1.327328	0.964401	3.199531	3.722362*
Al12	−3.282113	2.384595	2.988422	3.312622*	0.500000
Rh7	−4.315796	2.701431	3.190059	1.247281*	0.000000
Al13	−5.999130	4.358562	3.202339	1.445824*
Al14	−7.936925	5.754264	3.129835	1.805081*
Cu20	−8.654795	6.288076	3.229629	1.758008*
Al15	1.267240	3.900099	3.229629	1.895865*	0.500000
Al16	3.312242	10.193967	3.188066	2.217712*
Al17	4.062532	12.503186	3.099645	1.781269*
Al18	3.000945	14.756441	3.067386	3.582161*
Cu21	−1.220703	11.689222	3.217675	2.855839*	0.000000
Al19	−2.047370	11.088613	3.201097	1.820694*	0.400000
Cu22	−3.380890	10.119717	1.489571	3.382155*	0.000000
Cu23	0.601957	4.712207	2.790581	3.315327*	0.000000
Cu24	1.312448	7.064749	2.193510	3.365412*	0.037493

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Rh1	1.639204	1.639204	2.853528	0.000000	0.000000	0.000000
Rh2	4.852835	4.852835	4.959518	0.000000	0.000000	0.000000
Al1	2.290385	2.290385	2.954117	0.000000	0.000000	0.000000
Rh3	0.601973	0.601973	2.541024	0.000000	0.000000	0.000000
Al2	2.828525	2.828525	4.059731	0.000000	0.000000	0.000000
Rh4	1.454969	1.454969	2.637150	0.000000	0.000000	0.000000
Al3	2.773433	2.773433	4.965949	0.000000	0.000000	0.000000
Al4	1.806809	1.806809	2.448631	0.000000	0.000000	0.000000
Cu1	1.491897	1.491897	2.785343	0.000000	0.000000	0.000000
Cu2	1.528141	1.528141	3.875166	0.000000	0.000000	0.000000
Rh5	2.163900	2.163900	1.929530	0.000000	0.000000	0.000000
Al5	3.597750	3.597750	3.380732	0.000000	0.000000	0.000000
Cu3	1.893263	1.893263	2.244697	0.000000	0.000000	0.000000
Rh6	1.422840	1.422840	0.975761	0.000000	0.000000	0.000000
Al6	1.108969	1.108969	2.497957	0.000000	0.000000	0.000000
Al7	1.108449	1.108449	3.467535	0.000000	0.000000	0.000000
Rh7	1.183020	1.183020	2.046890	0.000000	0.000000	0.000000
Al8	0.982435	0.982435	0.891808	0.000000	0.000000	0.000000
Al9	1.271319	1.271319	4.928109	0.000000	0.000000	0.000000
Cu4	2.023270	2.023270	3.524672	0.000000	0.000000	0.000000
Al10	3.859392	3.859392	3.659880	0.000000	0.000000	0.000000
Al11	0.924636	0.924636	3.413605	0.000000	0.000000	0.000000
Cu5	1.022209	1.022209	2.006498	0.000000	0.000000	0.000000
Al12	1.285832	1.285832	2.977970	0.000000	0.000000	0.000000
Rh8	0.423577	0.423577	0.795991	0.000000	0.000000	0.000000
Al13	2.930954	2.930954	4.044556	0.000000	0.000000	0.000000
Al14	2.087196	2.087196	2.435039	0.000000	0.000000	0.000000
Cu6	3.257956	3.257956	3.609314	0.000000	0.000000	0.000000
Cu7	2.324035	2.324035	3.537447	0.000000	0.000000	0.000000
Rh9	0.882078	0.882078	1.882148	0.000000	0.000000	0.000000
Al15	1.493368	1.493368	5.313341	0.000000	0.000000	0.000000
Cu8	1.066180	1.066180	2.057756	0.000000	0.000000	0.000000
Al16	1.399204	1.399204	3.151559	0.000000	0.000000	0.000000
Al17	2.131814	2.131814	3.645920	0.000000	0.000000	0.000000
Al18	3.005544	3.005544	4.364959	0.000000	0.000000	0.000000
Rh10	1.436013	1.436013	1.798181	0.000000	0.000000	0.000000
Al19	4.034440	4.034440	2.662085	0.000000	0.000000	0.000000
Cu9	1.299934	1.299934	2.242502	0.000000	0.000000	0.000000
Al20	0.775470	0.775470	2.586192	0.000000	0.000000	0.000000
Al21	0.942597	0.942597	1.198877	0.000000	0.000000	0.000000
Al22	2.907541	2.907541	4.477688	0.000000	0.000000	0.000000
Al23	2.397453	2.397453	2.900921	0.000000	0.000000	0.000000
Rh11	1.297806	1.297806	1.239230	0.000000	0.000000	0.000000
Al24	2.058695	2.058695	2.729012	0.000000	0.000000	0.000000
Al25	1.987962	1.987962	4.588781	0.000000	0.000000	0.000000
Cu10	2.006793	2.006793	0.709588	0.000000	0.000000	0.000000
Rh12	1.636012	1.636012	2.473959	0.000000	0.000000	0.000000
Al26	3.075125	3.075125	4.319715	0.000000	0.000000	0.000000
Al27	1.372934	1.372934	2.026554	0.000000	0.000000	0.000000
Al28	2.726726	2.726726	1.527527	0.000000	0.000000	0.000000
Al29	1.980296	1.980296	1.885807	0.000000	0.000000	0.000000
Al30	2.137763	2.137763	1.672152	0.000000	0.000000	0.000000
Al31	5.621956	5.621956	3.159517	0.000000	0.000000	0.000000
Al32	0.671206	0.671206	1.104146	0.000000	0.000000	0.000000
Rh13	1.923489	1.923489	4.699194	0.000000	0.000000	0.000000
Cu11	2.973422	2.973422	4.467549	0.000000	0.000000	0.000000
Cu12	3.300096	3.300096	3.916443	0.000000	0.000000	0.000000
Rh1	2.090234	2.090234	2.719727	0.000000	0.000000	0.000000
Al1	2.906196	2.906196	4.234353	0.000000	0.000000	0.000000
Al2	3.045587	3.045587	3.366288	0.000000	0.000000	0.000000
Al3	3.442281	3.442281	3.907292	0.000000	0.000000	0.000000
Al4	1.481075	1.481075	3.169123	0.000000	0.000000	0.000000
Cu1	2.734765	2.734765	2.784196	0.000000	0.000000	0.000000
Cu2	2.409310	2.409310	2.459515	0.000000	0.000000	0.000000
Rh2	1.526707	1.526707	2.597131	0.000000	0.000000	0.000000
Al5	2.947927	2.947927	3.422278	0.000000	0.000000	0.000000
Al6	2.012813	2.012813	3.326947	0.000000	0.000000	0.000000
Cu3	2.780597	2.780597	1.559605	0.000000	0.000000	0.000000
Rh3	1.110788	1.110788	3.248994	0.000000	0.000000	0.000000
Al7	3.215571	3.215571	2.438088	0.000000	0.000000	0.000000
Al8	1.945386	1.945386	3.512018	0.000000	0.000000	0.000000
Al9	2.527563	2.527563	3.625846	0.000000	0.000000	0.000000
Rh4	2.245042	2.245042	5.743392	0.000000	0.000000	0.000000
Cu4	3.226260	3.226260	1.666543	0.000000	0.000000	0.000000
Rh5	1.013480	1.013480	1.422796	0.000000	0.000000	0.000000
Cu5	1.249920	1.249920	1.683867	0.000000	0.000000	0.000000
Cu6	2.293039	2.293039	3.494059	0.000000	0.000000	0.000000
Rh6	1.230759	1.230759	2.454712	0.000000	0.000000	0.000000
Al10	3.148576	3.148576	2.641274	0.000000	0.000000	0.000000
Cu7	1.223238	1.223238	2.772428	0.000000	0.000000	0.000000
Al11	3.722362	3.722362	3.507401	0.000000	0.000000	0.000000
Al12	3.312622	3.312622	4.075174	0.000000	0.000000	0.000000
Rh7	1.247281	1.247281	2.181880	0.000000	0.000000	0.000000
Al13	1.445824	1.445824	2.496556	0.000000	0.000000	0.000000
Al14	1.805081	1.805081	3.810559	0.000000	0.000000	0.000000
Cu8	1.758008	1.758008	2.233725	0.000000	0.000000	0.000000
Al15	1.895865	1.895865	3.163493	0.000000	0.000000	0.000000
Al16	2.217712	2.217712	3.364290	0.000000	0.000000	0.000000
Al17	1.781269	1.781269	3.192210	0.000000	0.000000	0.000000
Al18	3.582161	3.582161	4.221305	0.000000	0.000000	0.000000
Cu9	2.855839	2.855839	1.839263	0.000000	0.000000	0.000000
Al19	1.820694	1.820694	1.354633	0.000000	0.000000	0.000000
Cu10	3.382155	3.382155	3.791596	0.000000	0.000000	0.000000
Cu11	3.315327	3.315327	3.988806	0.000000	0.000000	0.000000
Cu12	3.365412	3.365412	3.345508	0.000000	0.000000	0.000000

(AlCuRh_1153K_4AS_thick_asymmetric) top

Crystal data top

P1	α = 72°
a = 17.3095 Å	β = 90°
b = 17.3095 Å	γ = 90°
c = 4.2840 Å

Data collection top

h = →	l = →
k = →

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	B_iso*/B_eq	Occ. (<1)
Rh1	0.000000	0.000000	1.091412	2.282941*
Rh2	−1.948859	6.143596	2.353890	4.490765*	0.715503
Al1	−2.765202	8.493295	1.123678	2.919898*
Rh3	−4.615181	14.204068	1.079060	1.356528*
Al2	−6.614323	20.464390	1.255306	3.000614*
Rh4	−7.384421	22.713971	1.079060	1.614991*
Al3	0.807628	2.399480	1.211417	5.027608*
Al4	2.489667	7.658410	1.079060	0.876166*
Cu1	4.622776	14.227334	1.165090	1.368410*
Cu2	5.348955	16.462338	2.334077	1.816453*	0.727526
Rh5	0.060295	20.304754	1.099817	1.581983*
Al5	−6.515745	25.082649	1.090028	3.267317*
Cu3	0.515651	5.116951	1.079060	2.398775*	0.500000
Rh6	−0.008886	7.667656	1.079060	2.494249*
Al6	0.798991	10.133109	1.079060	2.356270*
Al7	2.598338	12.548478	1.238352	0.791040*
Rh7	−0.108821	12.610065	1.079060	2.053216*
Al8	1.087604	15.021715	1.131322	1.550153*
Al9	−1.999386	14.036934	1.328574	1.649599*
Cu4	3.007128	16.398882	1.079060	4.131894*
Al10	0.864792	17.872887	1.114451	4.802094*
Al11	−2.038774	18.740618	1.191928	1.217259*
Cu5	−4.745982	18.771209	1.079060	0.639818*
Al12	−1.298975	3.997899	2.979913	1.505084*
Rh8	−3.305140	10.172143	3.189749	0.709175*
Al13	−4.211744	12.608013	3.072713	3.751822*
Al14	−5.976152	18.392706	3.185310	2.627185*
Cu6	−7.950308	24.456581	3.159330	1.172538*
Cu7	−8.654795	26.636719	1.962931	2.373245*	0.727526
Rh9	1.274472	3.922315	3.219512	0.523318*
Al15	3.311114	10.190453	2.618572	1.467865*
Cu8	4.054920	12.479760	3.220696	1.581887*
Al16	3.024583	18.151114	3.167810	1.100101*
Al17	−1.217692	21.233287	3.001981	2.713864*	0.500000
Al18	−2.060212	21.845413	1.281880	3.545423*	0.500000
Rh10	−3.287289	22.736875	3.179021	3.181894*
Al19	0.634708	6.483258	3.156137	2.737506*
Cu9	1.299207	8.959461	3.237181	2.180398*
Al20	−1.082609	8.858010	3.196667	0.424799*
Al21	1.425761	11.730112	3.237181	1.079049*
Al22	−0.928551	11.286641	2.976971	2.780327*
Al23	3.238282	14.829511	3.217447	4.674228*
Rh11	1.275145	16.330453	3.237181	1.422423*
Al24	−3.165260	14.877459	3.222014	2.189258*	0.401000
Al25	−1.201098	16.725232	3.017146	1.525812*
Cu10	0.195311	18.928178	3.224699	2.388804*	0.500000
Rh12	−3.117529	17.959451	3.216901	1.918845*
Al26	−3.879399	20.279157	3.105173	3.347165*
Al27	−5.948141	22.622033	3.158209	1.001989*
Al28	−4.718314	21.764712	1.079060	2.480938*
Al29	−0.532063	1.637719	3.201624	2.494958*	0.400000
Al30	−3.458544	11.533468	1.272926	1.464239*	0.500000
Al31	−3.604180	16.476503	1.137052	5.269589*
Al32	−0.307809	14.121433	3.237181	1.102942*
Rh13	−1.999933	6.155227	1.443297	2.428414*	0.284497
Cu11	5.348955	16.462338	1.451574	3.067812*	0.210000
Cu12	−8.654795	26.636719	2.832533	3.365437*	0.210000
Rh1	0.000000	0.000000	1.089936	2.564749*
Al1	−1.948859	1.505930	1.396299	3.697407*
Al2	−2.765202	1.998455	1.111625	3.854397*
Al3	−4.615181	3.353126	1.181351	3.850027*
Al4	−6.614323	4.872086	1.265631	2.004677*
Cu13	−7.384421	5.357099	1.130152	3.134377*	0.000000
Cu14	0.807628	2.432384	2.104864	2.519967*	0.000000
Rh2	2.489667	7.659936	1.121926	1.284629*	0.000000
Al5	4.622776	14.227374	1.281880	3.162239*	0.500000
Al6	5.348955	16.462358	1.162794	1.313595*
Cu15	0.060295	12.619909	1.079060	2.386269*	0.000000
Rh3	−6.515745	7.842212	1.138247	1.062381*	0.000000
Al7	0.515651	3.768634	1.079060	2.483372*
Al8	−0.008886	4.728426	1.267646	1.463204*
Al9	0.798991	7.201875	1.099505	2.571544*
Rh4	2.598338	10.809915	2.348595	2.885629*	0.000000
Cu16	−0.108821	7.665523	1.079060	3.634826*	0.000000
Rh5	1.087604	10.562486	1.079060	0.669725*	0.000000
Cu17	−1.999386	6.324883	3.141478	1.335488*	0.000000
Cu18	3.007128	13.670157	1.971809	2.312225*	0.727526
Rh6	0.864792	12.062675	3.148134	0.913206*	0.000000
Al10	−2.038774	9.185616	3.057216	3.239179*
Cu19	−4.745982	6.022009	3.220637	1.771577*
Al11	−1.298975	0.943801	3.207012	3.367953*
Al12	−3.305140	2.401305	2.995410	3.655833*	0.500000
Rh7	−4.211744	2.840979	3.197518	1.241926*	0.000000
Al13	−5.976152	4.341929	3.209827	1.905510*
Al14	−7.950308	5.768850	3.137153	2.269422*
Cu20	−8.654795	6.288076	3.237181	2.669422*
Al15	1.274472	3.922356	3.237181	2.936479*	0.500000
Al16	3.311114	10.190494	3.195521	1.601520*
Al17	4.054920	12.479760	3.106893	3.016990*
Al18	3.024583	14.773616	3.074558	2.859578*
Cu21	−1.217692	11.691410	3.225199	4.148914*	0.000000
Al19	−2.060212	11.079284	3.208582	2.431849*	0.400000
Cu22	−3.287289	10.187722	1.493054	3.414673*	0.000000
Cu23	0.634708	4.753019	2.797106	3.359100*	0.000000
Cu24	1.299207	7.064561	2.198639	3.377200*	0.037493

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Rh1	2.282941	2.282941	3.035770	0.000000	0.000000	0.000000
Rh2	4.490765	4.490765	5.484113	0.000000	0.000000	0.000000
Al1	2.919898	2.919898	2.604984	0.000000	0.000000	0.000000
Rh3	1.356528	1.356528	2.452885	0.000000	0.000000	0.000000
Al2	3.000614	3.000614	3.950009	0.000000	0.000000	0.000000
Rh4	1.614991	1.614991	2.782876	0.000000	0.000000	0.000000
Al3	5.027608	5.027608	5.252916	0.000000	0.000000	0.000000
Al4	0.876166	0.876166	3.383254	0.000000	0.000000	0.000000
Cu1	1.368410	1.368410	1.812119	0.000000	0.000000	0.000000
Cu2	1.816453	1.816453	4.134036	0.000000	0.000000	0.000000
Rh5	1.581983	1.581983	1.095551	0.000000	0.000000	0.000000
Al5	3.267317	3.267317	2.982587	0.000000	0.000000	0.000000
Cu3	2.398775	2.398775	2.634488	0.000000	0.000000	0.000000
Rh6	2.494249	2.494249	1.030910	0.000000	0.000000	0.000000
Al6	2.356270	2.356270	2.448125	0.000000	0.000000	0.000000
Al7	0.791040	0.791040	2.703832	0.000000	0.000000	0.000000
Rh7	2.053216	2.053216	1.581235	0.000000	0.000000	0.000000
Al8	1.550153	1.550153	1.349497	0.000000	0.000000	0.000000
Al9	1.649599	1.649599	4.917639	0.000000	0.000000	0.000000
Cu4	4.131894	4.131894	4.270021	0.000000	0.000000	0.000000
Al10	4.802094	4.802094	3.635401	0.000000	0.000000	0.000000
Al11	1.217259	1.217259	3.863312	0.000000	0.000000	0.000000
Cu5	0.639818	0.639818	1.856723	0.000000	0.000000	0.000000
Al12	1.505084	1.505084	3.319277	0.000000	0.000000	0.000000
Rh8	0.709175	0.709175	1.348413	0.000000	0.000000	0.000000
Al13	3.751822	3.751822	4.114427	0.000000	0.000000	0.000000
Al14	2.627185	2.627185	1.696196	0.000000	0.000000	0.000000
Cu6	1.172538	1.172538	2.629965	0.000000	0.000000	0.000000
Cu7	2.373245	2.373245	3.520165	0.000000	0.000000	0.000000
Rh9	0.523318	0.523318	1.435875	0.000000	0.000000	0.000000
Al15	1.467865	1.467865	5.044529	0.000000	0.000000	0.000000
Cu8	1.581887	1.581887	1.459146	0.000000	0.000000	0.000000
Al16	1.100101	1.100101	2.859798	0.000000	0.000000	0.000000
Al17	2.713864	2.713864	3.209823	0.000000	0.000000	0.000000
Al18	3.545423	3.545423	4.216799	0.000000	0.000000	0.000000
Rh10	3.181894	3.181894	2.435186	0.000000	0.000000	0.000000
Al19	2.737506	2.737506	2.179297	0.000000	0.000000	0.000000
Cu9	2.180398	2.180398	2.125946	0.000000	0.000000	0.000000
Al20	0.424799	0.424799	1.646758	0.000000	0.000000	0.000000
Al21	1.079049	1.079049	1.522493	0.000000	0.000000	0.000000
Al22	2.780327	2.780327	3.531098	0.000000	0.000000	0.000000
Al23	4.674228	4.674228	3.890119	0.000000	0.000000	0.000000
Rh11	1.422423	1.422423	1.632268	0.000000	0.000000	0.000000
Al24	2.189258	2.189258	2.460915	0.000000	0.000000	0.000000
Al25	1.525812	1.525812	4.948173	0.000000	0.000000	0.000000
Cu10	2.388804	2.388804	0.646744	0.000000	0.000000	0.000000
Rh12	1.918845	1.918845	2.395142	0.000000	0.000000	0.000000
Al26	3.347165	3.347165	4.572755	0.000000	0.000000	0.000000
Al27	1.001989	1.001989	1.884844	0.000000	0.000000	0.000000
Al28	2.480938	2.480938	1.437694	0.000000	0.000000	0.000000
Al29	2.494958	2.494958	1.977859	0.000000	0.000000	0.000000
Al30	1.464239	1.464239	1.048730	0.000000	0.000000	0.000000
Al31	5.269589	5.269589	2.670157	0.000000	0.000000	0.000000
Al32	1.102942	1.102942	1.803200	0.000000	0.000000	0.000000
Rh13	2.428414	2.428414	4.189654	0.000000	0.000000	0.000000
Cu11	3.067812	3.067812	4.317816	0.000000	0.000000	0.000000
Cu12	3.365437	3.365437	3.871443	0.000000	0.000000	0.000000
Rh1	2.564749	2.564749	3.107266	0.000000	0.000000	0.000000
Al1	3.697407	3.697407	4.157955	0.000000	0.000000	0.000000
Al2	3.854397	3.854397	3.734743	0.000000	0.000000	0.000000
Al3	3.850027	3.850027	4.031722	0.000000	0.000000	0.000000
Al4	2.004677	2.004677	3.026698	0.000000	0.000000	0.000000
Cu1	3.134377	3.134377	2.114968	0.000000	0.000000	0.000000
Cu2	2.519967	2.519967	2.806306	0.000000	0.000000	0.000000
Rh2	1.284629	1.284629	1.688812	0.000000	0.000000	0.000000
Al5	3.162239	3.162239	3.093010	0.000000	0.000000	0.000000
Al6	1.313595	1.313595	3.324241	0.000000	0.000000	0.000000
Cu3	2.386269	2.386269	1.667424	0.000000	0.000000	0.000000
Rh3	1.062381	1.062381	2.923469	0.000000	0.000000	0.000000
Al7	2.483372	2.483372	2.583231	0.000000	0.000000	0.000000
Al8	1.463204	1.463204	2.935411	0.000000	0.000000	0.000000
Al9	2.571544	2.571544	3.388452	0.000000	0.000000	0.000000
Rh4	2.885629	2.885629	6.166154	0.000000	0.000000	0.000000
Cu4	3.634826	3.634826	1.084253	0.000000	0.000000	0.000000
Rh5	0.669725	0.669725	1.400874	0.000000	0.000000	0.000000
Cu5	1.335488	1.335488	2.329547	0.000000	0.000000	0.000000
Cu6	2.312225	2.312225	3.700528	0.000000	0.000000	0.000000
Rh6	0.913206	0.913206	2.870289	0.000000	0.000000	0.000000
Al10	3.239179	3.239179	2.763623	0.000000	0.000000	0.000000
Cu7	1.771577	1.771577	2.191672	0.000000	0.000000	0.000000
Al11	3.367953	3.367953	3.485134	0.000000	0.000000	0.000000
Al12	3.655833	3.655833	3.999631	0.000000	0.000000	0.000000
Rh7	1.241926	1.241926	1.332444	0.000000	0.000000	0.000000
Al13	1.905510	1.905510	2.803719	0.000000	0.000000	0.000000
Al14	2.269422	2.269422	3.621795	0.000000	0.000000	0.000000
Cu8	2.669422	2.669422	2.636543	0.000000	0.000000	0.000000
Al15	2.936479	2.936479	2.914752	0.000000	0.000000	0.000000
Al16	1.601520	1.601520	2.656368	0.000000	0.000000	0.000000
Al17	3.016990	3.016990	3.176024	0.000000	0.000000	0.000000
Al18	2.859578	2.859578	3.721453	0.000000	0.000000	0.000000
Cu9	4.148914	4.148914	2.576051	0.000000	0.000000	0.000000
Al19	2.431849	2.431849	1.385769	0.000000	0.000000	0.000000
Cu10	3.414673	3.414673	3.752097	0.000000	0.000000	0.000000
Cu11	3.359100	3.359100	3.897767	0.000000	0.000000	0.000000
Cu12	3.377200	3.377200	3.540911	0.000000	0.000000	0.000000

(AlCuRh_1223K_4AS_thick_asymmetric) top

Crystal data top

P1	α = 72°
a = 17.3095 Å	β = 90°
b = 17.3095 Å	γ = 90°
c = 4.2930 Å

Data collection top

h = →	l = →
k = →

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	B_iso*/B_eq	Occ. (<1)
Rh1	0.000000	0.000000	1.085535	2.441943*
Rh2	−1.954183	6.133709	2.341216	5.810963*	0.715503
Al1	−2.743323	8.429153	1.117628	1.176157*
Rh3	−4.615354	14.204600	1.073250	1.940935*
Al2	−6.620158	20.394011	1.248546	2.462359*
Rh4	−7.388669	22.725563	1.073250	2.224887*
Al3	0.816742	2.427532	1.204894	4.361349*
Al4	2.398269	7.377118	1.073250	1.404178*
Cu1	4.610077	14.188252	1.158816	1.515311*
Cu2	5.348955	16.462338	2.321508	2.162071*	0.727526
Rh5	−0.038123	20.376259	1.093895	2.039648*
Al5	−6.532564	25.094869	1.084159	3.659474*
Cu3	0.531160	5.127497	1.073250	1.976939*	0.500000
Rh6	−0.057489	7.711189	1.073250	1.569855*
Al6	0.745693	10.136995	1.073250	1.851629*
Al7	2.599347	12.597985	1.231684	2.174457*
Rh7	−0.124676	12.589129	1.073250	1.746608*
Al8	1.133021	15.030494	1.125230	2.286843*
Al9	−2.033267	14.056626	1.321420	1.758124*
Cu4	3.007235	16.425582	1.073250	4.410425*
Al10	0.859675	17.852186	1.108450	3.740721*
Al11	−2.040259	18.777815	1.185510	2.685166*
Cu5	−4.712494	18.751478	1.073250	1.102301*
Al12	−1.301723	4.007181	2.963867	2.769696*
Rh8	−3.278917	10.093937	3.172574	0.828185*
Al13	−4.142366	12.588679	3.056168	3.271955*
Al14	−5.933669	18.262417	3.168159	3.245529*
Cu6	−7.951587	24.413170	3.142318	2.190432*
Cu7	−8.654795	26.636719	1.952362	2.829011*	0.727526
Rh9	1.280046	3.939469	3.202176	0.768483*
Al15	3.298677	10.152178	2.604472	2.231050*
Cu8	4.047720	12.457602	3.203354	1.583491*
Al16	2.974940	18.187182	3.150753	0.989120*
Al17	−1.228629	21.241233	2.985817	4.016935*	0.500000
Al18	−2.053924	21.840845	1.274978	4.247942*	0.500000
Rh10	−3.352168	22.784013	3.161904	1.379501*
Al19	0.618663	6.449804	3.139143	3.640607*
Cu9	1.335452	8.971871	3.219750	1.725866*
Al20	−1.059011	8.909114	3.179454	1.216182*
Al21	1.430973	11.745778	3.219750	0.790455*
Al22	−1.068031	11.407574	2.960941	3.666200*
Al23	3.269794	14.865179	3.200123	2.328828*
Rh11	1.268269	16.307855	3.219750	1.555763*
Al24	−3.241341	15.067626	3.204665	2.020078*	0.401000
Al25	−1.178283	16.746544	3.000900	1.578133*
Cu10	0.175914	18.914882	3.207336	3.170990*	0.500000
Rh12	−3.133346	17.980344	3.199579	1.914223*
Al26	−3.953675	20.293911	3.088453	3.704223*
Al27	−5.923658	22.587479	3.141203	1.542148*
Al28	−4.695802	21.728353	1.073250	2.998390*
Al29	−0.513168	1.579631	3.184385	3.070355*	0.400000
Al30	−3.489817	11.550532	1.266073	2.692512*	0.500000
Al31	−3.871146	16.594606	1.130930	5.961220*
Al32	−0.333051	14.120726	3.219750	1.727079*
Rh13	−1.996104	6.157797	1.435526	2.786685*	0.284497
Cu11	5.348955	16.462338	1.443758	2.976436*	0.210000
Cu12	−8.654795	26.636719	2.817281	3.365825*	0.210000
Rh1	0.000000	0.000000	1.084067	1.660269*
Al1	−1.954183	1.493561	1.388780	3.416819*
Al2	−2.743323	1.984533	1.105640	3.053852*
Al3	−4.615354	3.353251	1.174991	3.725419*
Al4	−6.620158	4.821730	1.258816	3.480948*
Cu13	−7.388669	5.359269	1.124066	2.898322*	0.000000
Cu14	0.816742	2.460436	2.093530	3.001203*	0.000000
Rh2	2.398269	7.378644	1.115885	1.573327*	0.000000
Al5	4.610077	14.188293	1.274978	3.535257*	0.500000
Al6	5.348955	16.462358	1.156532	2.820685*
Cu15	−0.038123	12.548404	1.073250	3.494803*	0.000000
Rh3	−6.532564	7.829992	1.132118	1.422806*	0.000000
Al7	0.531160	3.793383	1.073250	2.916776*
Al8	−0.057489	4.698195	1.260820	2.911152*
Al9	0.745693	7.141623	1.093584	3.288571*
Rh4	2.599347	10.841699	2.335949	2.763239*	0.000000
Cu16	−0.124676	7.633944	1.073250	4.463746*	0.000000
Rh5	1.133021	10.621302	1.073250	1.081202*	0.000000
Cu17	−2.033267	6.297224	3.124563	0.980682*	0.000000
Cu18	3.007235	13.686785	1.961191	2.797253*	0.727526
Rh6	0.859675	12.043866	3.131183	1.552343*	0.000000
Al10	−2.040259	9.206860	3.040755	3.024450*
Cu19	−4.712494	6.049181	3.203296	2.167890*
Al11	−1.301723	0.946307	3.189744	3.666414*
Al12	−3.278917	2.383799	2.979280	3.937484*	0.500000
Rh7	−4.142366	2.910589	3.180301	2.352008*	0.000000
Al13	−5.933669	4.311348	3.192544	2.711060*
Al14	−7.951587	5.740518	3.120262	2.783636*
Cu20	−8.654795	6.288076	3.219750	2.919151*
Al15	1.280046	3.939510	3.219750	3.931391*	0.500000
Al16	3.298677	10.152219	3.178315	0.832454*
Al17	4.047720	12.457602	3.090164	2.017228*
Al18	2.974940	14.737548	3.058003	4.763871*
Cu21	−1.228629	11.683463	3.207833	2.064713*	0.000000
Al19	−2.053924	11.083852	3.191305	2.595481*	0.400000
Cu22	−3.352168	10.140585	1.485015	3.402937*	0.000000
Cu23	0.618663	4.713479	2.782046	3.374677*	0.000000
Cu24	1.335452	7.114839	2.186801	3.390972*	0.037493

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Rh1	2.441943	2.441943	2.384701	0.000000	0.000000	0.000000
Rh2	5.810963	5.810963	6.056041	0.000000	0.000000	0.000000
Al1	1.176157	1.176157	2.883754	0.000000	0.000000	0.000000
Rh3	1.940935	1.940935	3.070480	0.000000	0.000000	0.000000
Al2	2.462359	2.462359	3.903096	0.000000	0.000000	0.000000
Rh4	2.224887	2.224887	2.761869	0.000000	0.000000	0.000000
Al3	4.361349	4.361349	4.572598	0.000000	0.000000	0.000000
Al4	1.404178	1.404178	3.983046	0.000000	0.000000	0.000000
Cu1	1.515311	1.515311	1.860804	0.000000	0.000000	0.000000
Cu2	2.162071	2.162071	4.823101	0.000000	0.000000	0.000000
Rh5	2.039648	2.039648	2.101963	0.000000	0.000000	0.000000
Al5	3.659474	3.659474	3.476810	0.000000	0.000000	0.000000
Cu3	1.976939	1.976939	2.134159	0.000000	0.000000	0.000000
Rh6	1.569855	1.569855	1.667638	0.000000	0.000000	0.000000
Al6	1.851629	1.851629	2.980151	0.000000	0.000000	0.000000
Al7	2.174457	2.174457	3.636429	0.000000	0.000000	0.000000
Rh7	1.746608	1.746608	2.119640	0.000000	0.000000	0.000000
Al8	2.286843	2.286843	1.031817	0.000000	0.000000	0.000000
Al9	1.758124	1.758124	4.489427	0.000000	0.000000	0.000000
Cu4	4.410425	4.410425	4.714798	0.000000	0.000000	0.000000
Al10	3.740721	3.740721	2.085715	0.000000	0.000000	0.000000
Al11	2.685166	2.685166	4.231422	0.000000	0.000000	0.000000
Cu5	1.102301	1.102301	1.798078	0.000000	0.000000	0.000000
Al12	2.769696	2.769696	3.365382	0.000000	0.000000	0.000000
Rh8	0.828185	0.828185	1.028238	0.000000	0.000000	0.000000
Al13	3.271955	3.271955	4.116297	0.000000	0.000000	0.000000
Al14	3.245529	3.245529	2.429774	0.000000	0.000000	0.000000
Cu6	2.190432	2.190432	3.389047	0.000000	0.000000	0.000000
Cu7	2.829011	2.829011	4.026329	0.000000	0.000000	0.000000
Rh9	0.768483	0.768483	1.238394	0.000000	0.000000	0.000000
Al15	2.231050	2.231050	4.750385	0.000000	0.000000	0.000000
Cu8	1.583491	1.583491	1.528233	0.000000	0.000000	0.000000
Al16	0.989120	0.989120	3.481818	0.000000	0.000000	0.000000
Al17	4.016935	4.016935	3.429847	0.000000	0.000000	0.000000
Al18	4.247942	4.247942	3.734907	0.000000	0.000000	0.000000
Rh10	1.379501	1.379501	1.776585	0.000000	0.000000	0.000000
Al19	3.640607	3.640607	3.522149	0.000000	0.000000	0.000000
Cu9	1.725866	1.725866	3.352746	0.000000	0.000000	0.000000
Al20	1.216182	1.216182	3.519726	0.000000	0.000000	0.000000
Al21	0.790455	0.790455	1.120123	0.000000	0.000000	0.000000
Al22	3.666200	3.666200	4.609553	0.000000	0.000000	0.000000
Al23	2.328828	2.328828	3.263172	0.000000	0.000000	0.000000
Rh11	1.555763	1.555763	1.992316	0.000000	0.000000	0.000000
Al24	2.020078	2.020078	2.573180	0.000000	0.000000	0.000000
Al25	1.578133	1.578133	4.857384	0.000000	0.000000	0.000000
Cu10	3.170990	3.170990	1.186006	0.000000	0.000000	0.000000
Rh12	1.914223	1.914223	2.707155	0.000000	0.000000	0.000000
Al26	3.704223	3.704223	4.678618	0.000000	0.000000	0.000000
Al27	1.542148	1.542148	2.730795	0.000000	0.000000	0.000000
Al28	2.998390	2.998390	2.442529	0.000000	0.000000	0.000000
Al29	3.070355	3.070355	2.044996	0.000000	0.000000	0.000000
Al30	2.692512	2.692512	1.394260	0.000000	0.000000	0.000000
Al31	5.961220	5.961220	4.084416	0.000000	0.000000	0.000000
Al32	1.727079	1.727079	1.778711	0.000000	0.000000	0.000000
Rh13	2.786685	2.786685	4.149166	0.000000	0.000000	0.000000
Cu11	2.976436	2.976436	4.321564	0.000000	0.000000	0.000000
Cu12	3.365825	3.365825	3.905850	0.000000	0.000000	0.000000
Rh1	1.660269	1.660269	2.027626	0.000000	0.000000	0.000000
Al1	3.416819	3.416819	4.109896	0.000000	0.000000	0.000000
Al2	3.053852	3.053852	3.544087	0.000000	0.000000	0.000000
Al3	3.725419	3.725419	3.674291	0.000000	0.000000	0.000000
Al4	3.480948	3.480948	4.311567	0.000000	0.000000	0.000000
Cu1	2.898322	2.898322	2.949143	0.000000	0.000000	0.000000
Cu2	3.001203	3.001203	3.021603	0.000000	0.000000	0.000000
Rh2	1.573327	1.573327	2.452860	0.000000	0.000000	0.000000
Al5	3.535257	3.535257	3.078777	0.000000	0.000000	0.000000
Al6	2.820685	2.820685	3.631466	0.000000	0.000000	0.000000
Cu3	3.494803	3.494803	1.484961	0.000000	0.000000	0.000000
Rh3	1.422806	1.422806	2.857748	0.000000	0.000000	0.000000
Al7	2.916776	2.916776	1.927575	0.000000	0.000000	0.000000
Al8	2.911152	2.911152	3.679610	0.000000	0.000000	0.000000
Al9	3.288571	3.288571	3.688221	0.000000	0.000000	0.000000
Rh4	2.763239	2.763239	6.408261	0.000000	0.000000	0.000000
Cu4	4.463746	4.463746	1.766540	0.000000	0.000000	0.000000
Rh5	1.081202	1.081202	1.620713	0.000000	0.000000	0.000000
Cu5	0.980682	0.980682	1.526475	0.000000	0.000000	0.000000
Cu6	2.797253	2.797253	4.216674	0.000000	0.000000	0.000000
Rh6	1.552343	1.552343	2.433959	0.000000	0.000000	0.000000
Al10	3.024450	3.024450	2.888823	0.000000	0.000000	0.000000
Cu7	2.167890	2.167890	2.020267	0.000000	0.000000	0.000000
Al11	3.666414	3.666414	3.500215	0.000000	0.000000	0.000000
Al12	3.937484	3.937484	3.817988	0.000000	0.000000	0.000000
Rh7	2.352008	2.352008	2.423944	0.000000	0.000000	0.000000
Al13	2.711060	2.711060	3.110513	0.000000	0.000000	0.000000
Al14	2.783636	2.783636	3.748522	0.000000	0.000000	0.000000
Cu8	2.919151	2.919151	3.034662	0.000000	0.000000	0.000000
Al15	3.931391	3.931391	3.394808	0.000000	0.000000	0.000000
Al16	0.832454	0.832454	2.645119	0.000000	0.000000	0.000000
Al17	2.017228	2.017228	3.236484	0.000000	0.000000	0.000000
Al18	4.763871	4.763871	4.005237	0.000000	0.000000	0.000000
Cu9	2.064713	2.064713	2.779171	0.000000	0.000000	0.000000
Al19	2.595481	2.595481	1.131647	0.000000	0.000000	0.000000
Cu10	3.402937	3.402937	3.763348	0.000000	0.000000	0.000000
Cu11	3.374677	3.374677	3.958946	0.000000	0.000000	0.000000
Cu12	3.390972	3.390972	3.612851	0.000000	0.000000	0.000000

(AlCuRh_293K_5AS_thick_asymmetric) top

Crystal data top

P1	α = 72°
a = 17.1299 Å	β = 90°
b = 17.1299 Å	γ = 90°
c = 4.2520 Å

Data collection top

h = →	l = →
k = →

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	B_iso*/B_eq	Occ. (<1)
Rh1	0.000000	0.000000	1.075168	1.827232*
Rh2	−1.921721	6.081958	2.318856	1.459047*	0.715503
Al1	−2.714358	8.351558	1.106954	0.018316*
Rh3	−4.554671	14.017837	1.063000	0.399276*
Al2	−6.555617	20.193905	1.236622	2.362178*
Rh4	−7.306033	22.476305	1.063000	1.345216*
Al3	0.809975	2.407598	1.193387	4.472152*
Al4	2.420377	7.445201	1.063000	0.040840*
Cu1	4.553605	14.014449	1.147749	0.408460*
Cu2	5.293437	16.291471	2.299337	1.150589*	0.727526
Rh5	0.034294	20.112441	1.083448	0.036218*
Al5	−6.493710	24.855435	1.073805	0.766461*
Cu3	0.573742	5.038307	1.063000	1.746902*	0.500000
Rh6	−0.018793	7.654883	1.063000	0.281964*
Al6	0.701557	10.048135	1.063000	0.056904*
Al7	2.587965	12.460768	1.219921	1.070258*
Rh7	−0.089146	12.479160	1.063000	0.856548*
Al8	0.996435	14.948505	1.114484	0.022263*
Al9	−2.006643	13.919545	1.308800	2.738876*
Cu4	2.985565	16.315201	1.063000	0.064475*
Al10	0.866484	17.706612	1.097864	0.246163*
Al11	−2.076166	18.661501	1.174188	0.052817*
Cu5	−4.687988	18.602574	1.063000	0.460842*
Al12	−1.299345	4.000179	2.935561	2.167226*
Rh8	−3.257004	10.023408	3.142275	0.021110*
Al13	−4.071942	12.489661	3.026980	1.651368*
Al14	−5.803586	17.875776	3.137902	1.038514*
Cu6	−7.868823	24.204355	3.112308	1.231521*
Cu7	−8.564964	26.360249	1.933716	1.951112*	0.727526
Rh9	1.255792	3.864824	3.171594	0.409434*
Al15	3.284528	10.108632	2.579598	0.082083*
Cu8	4.019323	12.370203	3.172761	0.504175*
Al16	3.022680	17.941292	3.120662	0.877980*
Al17	−1.268761	21.059186	2.957301	1.083868*	0.500000
Al18	−1.981399	21.576948	1.262801	3.133722*	0.500000
Rh10	−3.288286	22.526397	3.131706	0.670135*
Al19	0.664263	6.404469	3.109163	1.184988*
Cu9	1.342248	8.813478	3.189000	0.397862*
Al20	−1.054806	8.744830	3.149089	0.044868*
Al21	1.439571	11.645532	3.189000	0.100582*
Al22	−1.237189	11.504945	2.932663	1.154916*
Al23	3.260033	14.741855	3.169560	1.342483*
Rh11	1.221963	16.154313	3.189000	0.262482*
Al24	−3.128410	14.913377	3.174059	1.776281*	0.401000
Al25	−1.199620	16.510806	2.972240	1.036315*
Cu10	0.223442	18.762062	3.176705	1.558578*	0.500000
Rh12	−3.094639	17.764941	3.169022	0.194972*
Al26	−3.999997	20.108120	3.058957	0.763443*
Al27	−5.869921	22.448397	3.111203	0.243673*
Al28	−4.626607	21.408786	1.063000	0.011912*
Al29	−0.489944	1.508186	3.153973	1.826908*	0.400000
Al30	−3.522056	11.394923	1.253981	0.208497*	0.500000
Al31	−3.782226	16.426443	1.120129	2.282222*
Al32	−0.351156	14.027848	3.189000	0.541820*
Rh13	−1.991234	6.142430	1.421816	0.873963*	0.284497
Cu11	5.293437	16.291471	1.429969	0.025208*	0.210000
Cu12	−8.564964	26.360249	2.790375	1.545979*	0.210000
Rh1	0.000000	0.000000	1.073714	3.559575*
Al1	−1.921721	1.499738	1.375517	3.262003*
Al2	−2.714358	1.970627	1.095081	2.141264*
Al3	−4.554671	3.309162	1.163769	2.689358*
Al4	−6.555617	4.773930	1.246794	0.285576*
Cu13	−7.306033	5.302364	1.113331	1.005979*	0.000000
Cu14	0.809975	2.440160	2.073536	2.000462*	0.000000
Rh2	2.420377	7.446711	1.105228	0.207039*	0.000000
Al5	4.553605	14.014489	1.262801	1.898095*	0.500000
Al6	5.293437	16.291491	1.145487	1.901258*
Cu15	0.034294	12.470488	1.063000	1.843465*	0.000000
Rh3	−6.493710	7.727689	1.121306	0.233486*	0.000000
Al7	0.573742	3.788320	1.063000	0.034351*
Al8	−0.018793	4.708885	1.248779	0.599169*
Al9	0.701557	7.034818	1.083140	0.095852*
Rh4	2.587965	10.743513	2.313640	0.352653*	0.000000
Cu16	−0.089146	7.607747	1.063000	2.452783*	0.000000
Rh5	0.996435	10.410064	1.063000	0.526182*	0.000000
Cu17	−2.006643	6.243801	3.094722	2.580974*	0.000000
Cu18	2.985565	13.593090	1.942461	2.598536*	0.727526
Rh6	0.866484	11.961901	3.101279	0.130749*	0.000000
Al10	−2.076166	9.092763	3.011714	0.040172*
Cu19	−4.687988	5.985963	3.172703	0.994046*
Al11	−1.299345	0.944775	3.159281	1.845725*
Al12	−3.257004	2.365969	2.950827	2.727224*	0.500000
Rh7	−4.071942	2.932180	3.149928	0.743709*	0.000000
Al13	−5.803586	4.225312	3.162054	0.393157*
Al14	−7.868823	5.708758	3.090462	0.373209*
Cu20	−8.564964	6.222811	3.189000	0.076349*
Al15	1.255792	3.864864	3.189000	3.568499*	0.500000
Al16	3.284528	10.108672	3.147961	0.473473*
Al17	4.019323	12.370203	3.060652	0.503908*
Al18	3.022680	14.641702	3.028798	2.497886*
Cu21	−1.268761	11.523775	3.177197	0.794633*	0.000000
Al19	−1.981399	11.006013	3.160827	2.471880*	0.400000
Cu22	−3.288286	10.056467	1.470832	1.979560*	0.000000
Cu23	0.664263	4.739067	2.755476	1.522916*	0.000000
Cu24	1.342248	7.024937	2.165916	2.693076*	0.037493

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Rh1	1.827232	1.827232	3.180237	0.000000	0.000000	0.000000
Rh2	1.459047	1.459047	2.223204	0.000000	0.000000	0.000000
Al1	0.018316	0.018316	0.171032	0.000000	0.000000	0.000000
Rh3	0.399276	0.399276	0.541567	0.000000	0.000000	0.000000
Al2	2.362178	2.362178	5.018346	0.000000	0.000000	0.000000
Rh4	1.345216	1.345216	0.317698	0.000000	0.000000	0.000000
Al3	4.472152	4.472152	4.750513	0.000000	0.000000	0.000000
Al4	0.040840	0.040840	0.268536	0.000000	0.000000	0.000000
Cu1	0.408460	0.408460	0.735138	0.000000	0.000000	0.000000
Cu2	1.150589	1.150589	0.733784	0.000000	0.000000	0.000000
Rh5	0.036218	0.036218	0.173796	0.000000	0.000000	0.000000
Al5	0.766461	0.766461	1.294633	0.000000	0.000000	0.000000
Cu3	1.746902	1.746902	1.102404	0.000000	0.000000	0.000000
Rh6	0.281964	0.281964	0.640048	0.000000	0.000000	0.000000
Al6	0.056904	0.056904	0.272274	0.000000	0.000000	0.000000
Al7	1.070258	1.070258	1.727413	0.000000	0.000000	0.000000
Rh7	0.856548	0.856548	1.250684	0.000000	0.000000	0.000000
Al8	0.022263	0.022263	0.152322	0.000000	0.000000	0.000000
Al9	2.738876	2.738876	2.185917	0.000000	0.000000	0.000000
Cu4	0.064475	0.064475	1.528423	0.000000	0.000000	0.000000
Al10	0.246163	0.246163	2.736346	0.000000	0.000000	0.000000
Al11	0.052817	0.052817	1.926732	0.000000	0.000000	0.000000
Cu5	0.460842	0.460842	1.507190	0.000000	0.000000	0.000000
Al12	2.167226	2.167226	2.315604	0.000000	0.000000	0.000000
Rh8	0.021110	0.021110	0.077070	0.000000	0.000000	0.000000
Al13	1.651368	1.651368	1.945043	0.000000	0.000000	0.000000
Al14	1.038514	1.038514	1.138565	0.000000	0.000000	0.000000
Cu6	1.231521	1.231521	1.861489	0.000000	0.000000	0.000000
Cu7	1.951112	1.951112	0.973250	0.000000	0.000000	0.000000
Rh9	0.409434	0.409434	1.042846	0.000000	0.000000	0.000000
Al15	0.082083	0.082083	3.163943	0.000000	0.000000	0.000000
Cu8	0.504175	0.504175	0.857663	0.000000	0.000000	0.000000
Al16	0.877980	0.877980	0.850023	0.000000	0.000000	0.000000
Al17	1.083868	1.083868	4.381505	0.000000	0.000000	0.000000
Al18	3.133722	3.133722	4.586379	0.000000	0.000000	0.000000
Rh10	0.670135	0.670135	1.426237	0.000000	0.000000	0.000000
Al19	1.184988	1.184988	1.052822	0.000000	0.000000	0.000000
Cu9	0.397862	0.397862	0.945619	0.000000	0.000000	0.000000
Al20	0.044868	0.044868	1.042555	0.000000	0.000000	0.000000
Al21	0.100582	0.100582	0.345207	0.000000	0.000000	0.000000
Al22	1.154916	1.154916	3.515073	0.000000	0.000000	0.000000
Al23	1.342483	1.342483	1.715288	0.000000	0.000000	0.000000
Rh11	0.262482	0.262482	0.832384	0.000000	0.000000	0.000000
Al24	1.776281	1.776281	2.235925	0.000000	0.000000	0.000000
Al25	1.036315	1.036315	2.923143	0.000000	0.000000	0.000000
Cu10	1.558578	1.558578	0.193075	0.000000	0.000000	0.000000
Rh12	0.194972	0.194972	1.012287	0.000000	0.000000	0.000000
Al26	0.763443	0.763443	4.729931	0.000000	0.000000	0.000000
Al27	0.243673	0.243673	2.626216	0.000000	0.000000	0.000000
Al28	0.011912	0.011912	0.025535	0.000000	0.000000	0.000000
Al29	1.826908	1.826908	1.879847	0.000000	0.000000	0.000000
Al30	0.208497	0.208497	0.037498	0.000000	0.000000	0.000000
Al31	2.282222	2.282222	1.471518	0.000000	0.000000	0.000000
Al32	0.541820	0.541820	0.134105	0.000000	0.000000	0.000000
Rh13	0.873963	0.873963	0.960193	0.000000	0.000000	0.000000
Cu11	0.025208	0.025208	0.346395	0.000000	0.000000	0.000000
Cu12	1.545979	1.545979	1.516688	0.000000	0.000000	0.000000
Rh1	3.559575	3.559575	3.598292	0.000000	0.000000	0.000000
Al1	3.262003	3.262003	1.989405	0.000000	0.000000	0.000000
Al2	2.141264	2.141264	1.456759	0.000000	0.000000	0.000000
Al3	2.689358	2.689358	1.188582	0.000000	0.000000	0.000000
Al4	0.285576	0.285576	2.961655	0.000000	0.000000	0.000000
Cu1	1.005979	1.005979	1.438032	0.000000	0.000000	0.000000
Cu2	2.000462	2.000462	2.635753	0.000000	0.000000	0.000000
Rh2	0.207039	0.207039	0.736781	0.000000	0.000000	0.000000
Al5	1.898095	1.898095	4.358078	0.000000	0.000000	0.000000
Al6	1.901258	1.901258	0.880328	0.000000	0.000000	0.000000
Cu3	1.843465	1.843465	0.488484	0.000000	0.000000	0.000000
Rh3	0.233486	0.233486	0.589312	0.000000	0.000000	0.000000
Al7	0.034351	0.034351	0.039607	0.000000	0.000000	0.000000
Al8	0.599169	0.599169	0.571656	0.000000	0.000000	0.000000
Al9	0.095852	0.095852	1.112977	0.000000	0.000000	0.000000
Rh4	0.352653	0.352653	0.623000	0.000000	0.000000	0.000000
Cu4	2.452783	2.452783	0.298151	0.000000	0.000000	0.000000
Rh5	0.526182	0.526182	0.277931	0.000000	0.000000	0.000000
Cu5	2.580974	2.580974	0.765943	0.000000	0.000000	0.000000
Cu6	2.598536	2.598536	1.427093	0.000000	0.000000	0.000000
Rh6	0.130749	0.130749	0.558001	0.000000	0.000000	0.000000
Al10	0.040172	0.040172	3.276240	0.000000	0.000000	0.000000
Cu7	0.994046	0.994046	0.915055	0.000000	0.000000	0.000000
Al11	1.845725	1.845725	1.522191	0.000000	0.000000	0.000000
Al12	2.727224	2.727224	3.194154	0.000000	0.000000	0.000000
Rh7	0.743709	0.743709	0.671768	0.000000	0.000000	0.000000
Al13	0.393157	0.393157	0.684082	0.000000	0.000000	0.000000
Al14	0.373209	0.373209	3.535620	0.000000	0.000000	0.000000
Cu8	0.076349	0.076349	0.401613	0.000000	0.000000	0.000000
Al15	3.568499	3.568499	0.440393	0.000000	0.000000	0.000000
Al16	0.473473	0.473473	0.720921	0.000000	0.000000	0.000000
Al17	0.503908	0.503908	1.331667	0.000000	0.000000	0.000000
Al18	2.497886	2.497886	1.655226	0.000000	0.000000	0.000000
Cu9	0.794633	0.794633	1.744228	0.000000	0.000000	0.000000
Al19	2.471880	2.471880	1.161984	0.000000	0.000000	0.000000
Cu10	1.979560	1.979560	1.849057	0.000000	0.000000	0.000000
Cu11	1.522916	1.522916	1.623040	0.000000	0.000000	0.000000
Cu12	2.693076	2.693076	1.846236	0.000000	0.000000	0.000000

(AlCuRh_1013K_5AS_thick_asymmetric) top

Crystal data top

P1	α = 72°
a = 17.3095 Å	β = 90°
b = 17.3095 Å	γ = 90°
c = 4.2820 Å

Data collection top

h = →	l = →
k = →

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	B_iso*/B_eq	Occ. (<1)
Rh1	0.000000	0.000000	1.082754	1.184031*
Rh2	−1.946298	6.185038	2.335217	4.464579*	0.715503
Al1	−2.744418	8.439634	1.114764	1.379228*
Rh3	−4.617683	14.211766	1.070500	1.550251*
Al2	−6.629987	20.427260	1.245347	3.655014*
Rh4	−7.388770	22.723866	1.070500	0.926731*
Al3	0.822546	2.445394	1.201807	4.508354*
Al4	2.420259	7.444795	1.070500	0.156721*
Cu1	4.605194	14.173222	1.155847	2.229152*
Cu2	5.348955	16.462338	2.315560	1.672569*	0.727526
Rh5	0.068865	20.298528	1.091092	0.468962*
Al5	−6.556160	25.112012	1.081381	2.986509*
Cu3	0.522687	5.107973	1.070500	2.503804*	0.500000
Rh6	−0.053780	7.717489	1.070500	1.864968*
Al6	0.700386	10.119550	1.070500	0.668809*
Al7	2.597337	12.555411	1.228528	0.186099*
Rh7	−0.061682	12.607256	1.070500	1.558764*
Al8	1.074310	15.038333	1.122347	0.206039*
Al9	−2.046190	13.981161	1.318034	2.972654*
Cu4	3.003774	16.457867	1.070500	3.586936*
Al10	0.854138	17.897740	1.105610	6.930078*
Al11	−2.052732	18.787692	1.182472	0.079150*
Cu5	−4.733894	18.753860	1.070500	0.522181*
Al12	−1.322902	4.071934	2.956273	0.805579*
Rh8	−3.287280	10.117208	3.164445	1.816100*
Al13	−4.140585	12.606839	3.048337	3.382340*
Al14	−5.962677	18.352352	3.160041	1.353778*
Cu6	−7.938296	24.415133	3.134267	1.369775*
Cu7	−8.654795	26.636719	1.947359	1.847554*	0.727526
Rh9	1.292423	3.977563	3.193971	0.548275*
Al15	3.326636	10.238227	2.597798	0.857396*
Cu8	4.058429	12.490560	3.195146	1.346227*
Al16	3.034637	18.143809	3.142680	0.897137*
Al17	−1.231248	21.243135	2.978166	4.067933*	0.500000
Al18	−2.073655	21.855180	1.271711	2.095674*	0.500000
Rh10	−3.308322	22.752157	3.153802	1.839470*
Al19	0.618160	6.444634	3.131100	4.493474*
Cu9	1.369571	8.913914	3.211500	0.742924*
Al20	−1.071730	8.916157	3.171307	0.039176*
Al21	1.483792	11.815536	3.211500	0.255916*
Al22	−1.129678	11.480160	2.953354	5.200530*
Al23	3.283354	14.874842	3.191923	6.357624*
Rh11	1.229389	16.332725	3.211500	1.261283*
Al24	−3.168076	14.939859	3.196454	0.927020*	0.401000
Al25	−1.209260	16.712258	2.993211	0.879765*
Cu10	0.172878	18.913262	3.199118	1.507838*	0.500000
Rh12	−3.129627	17.948747	3.191381	1.671864*
Al26	−4.000157	20.306092	3.080539	4.215699*
Al27	−5.946733	22.654707	3.133154	0.493522*
Al28	−4.719467	21.702347	1.070500	1.541817*
Al29	−0.519097	1.597980	3.176226	1.727813*	0.400000
Al30	−3.471289	11.571277	1.262828	0.486986*	0.500000
Al31	−3.818278	16.565799	1.128032	6.917780*
Al32	−0.357592	14.102519	3.211500	1.482557*
Rh13	−2.009526	6.188141	1.431848	2.593321*	0.284497
Cu11	5.348955	16.462338	1.440058	1.210890*	0.210000
Cu12	−8.654795	26.636719	2.810062	2.740682*	0.210000
Rh1	0.000000	0.000000	1.089936	2.747106*
Al1	−1.953354	1.509404	1.396299	3.564454*
Al2	−2.771580	2.003065	1.111625	4.536192*
Al3	−4.625826	3.360860	1.181351	4.069540*
Al4	−6.629579	4.883323	1.265631	1.822170*
Cu13	−7.401453	5.369455	1.130152	3.340166*	0.000000
Cu14	0.809491	2.437994	2.104864	2.451382*	0.000000
Rh2	2.495409	7.677604	1.121926	1.028035*	0.000000
Al5	4.633438	14.260190	1.281880	3.147872*	0.500000
Al6	5.361293	16.500329	1.162794	0.580988*
Cu15	0.060434	12.649017	1.079060	2.473176*	0.000000
Rh3	−6.530774	7.860300	1.138247	0.998496*	0.000000
Al7	0.516840	3.777326	1.079060	2.116701*
Al8	−0.008907	4.739332	1.267646	0.970277*
Al9	0.800833	7.218487	1.099505	2.205949*
Rh4	2.604331	10.834848	2.348595	2.886882*	0.000000
Cu16	−0.109072	7.683203	1.079060	3.713261*	0.000000
Rh5	1.090113	10.586849	1.079060	0.655248*	0.000000
Cu17	−2.003998	6.339472	3.141478	0.798317*	0.000000
Cu18	3.014064	13.701687	1.971809	1.826661*	0.727526
Rh6	0.866786	12.090498	3.148134	0.712034*	0.000000
Al10	−2.043477	9.206803	3.057216	3.595004*
Cu19	−4.756929	6.035899	3.220637	1.071934*
Al11	−1.301971	0.945978	3.207012	3.595526*
Al12	−3.312764	2.406843	2.995410	3.802093*	0.500000
Rh7	−4.221458	2.847532	3.197518	1.121161*	0.000000
Al13	−5.989936	4.351944	3.209827	0.975404*
Al14	−7.968646	5.782156	3.137153	2.384914*
Cu20	−8.674757	6.302580	3.237181	1.901095*
Al15	1.277412	3.931403	3.237181	2.751056*	0.500000
Al16	3.318751	10.213998	3.195521	1.296651*
Al17	4.064273	12.508545	3.106893	3.626348*
Al18	3.031559	14.807691	3.074558	2.850616*
Cu21	−1.220501	11.718376	3.225199	4.788876*	0.000000
Al19	−2.064964	11.104838	3.208582	2.224298*	0.400000
Cu22	−3.294871	10.211220	1.493054	3.410376*	0.000000
Cu23	0.636172	4.763981	2.797106	3.350221*	0.000000
Cu24	1.302203	7.080855	2.198639	3.393696*	0.037493

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Rh1	1.184031	1.184031	2.127607	0.000000	0.000000	0.000000
Rh2	4.464579	4.464579	5.319000	0.000000	0.000000	0.000000
Al1	1.379228	1.379228	2.408178	0.000000	0.000000	0.000000
Rh3	1.550251	1.550251	2.732434	0.000000	0.000000	0.000000
Al2	3.655014	3.655014	4.666227	0.000000	0.000000	0.000000
Rh4	0.926731	0.926731	3.168260	0.000000	0.000000	0.000000
Al3	4.508354	4.508354	4.951666	0.000000	0.000000	0.000000
Al4	0.156721	0.156721	1.813053	0.000000	0.000000	0.000000
Cu1	2.229152	2.229152	1.155706	0.000000	0.000000	0.000000
Cu2	1.672569	1.672569	2.276594	0.000000	0.000000	0.000000
Rh5	0.468962	0.468962	1.389223	0.000000	0.000000	0.000000
Al5	2.986509	2.986509	2.766284	0.000000	0.000000	0.000000
Cu3	2.503804	2.503804	1.891666	0.000000	0.000000	0.000000
Rh6	1.864968	1.864968	2.029079	0.000000	0.000000	0.000000
Al6	0.668809	0.668809	1.719585	0.000000	0.000000	0.000000
Al7	0.186099	0.186099	2.803169	0.000000	0.000000	0.000000
Rh7	1.558764	1.558764	1.718148	0.000000	0.000000	0.000000
Al8	0.206039	0.206039	0.439242	0.000000	0.000000	0.000000
Al9	2.972654	2.972654	5.573828	0.000000	0.000000	0.000000
Cu4	3.586936	3.586936	2.514757	0.000000	0.000000	0.000000
Al10	6.930078	6.930078	4.087298	0.000000	0.000000	0.000000
Al11	0.079150	0.079150	3.465593	0.000000	0.000000	0.000000
Cu5	0.522181	0.522181	1.294474	0.000000	0.000000	0.000000
Al12	0.805579	0.805579	2.872483	0.000000	0.000000	0.000000
Rh8	1.816100	1.816100	0.711630	0.000000	0.000000	0.000000
Al13	3.382340	3.382340	4.227456	0.000000	0.000000	0.000000
Al14	1.353778	1.353778	0.978066	0.000000	0.000000	0.000000
Cu6	1.369775	1.369775	3.526693	0.000000	0.000000	0.000000
Cu7	1.847554	1.847554	3.142514	0.000000	0.000000	0.000000
Rh9	0.548275	0.548275	1.381652	0.000000	0.000000	0.000000
Al15	0.857396	0.857396	6.173979	0.000000	0.000000	0.000000
Cu8	1.346227	1.346227	1.383886	0.000000	0.000000	0.000000
Al16	0.897137	0.897137	2.806253	0.000000	0.000000	0.000000
Al17	4.067933	4.067933	3.491039	0.000000	0.000000	0.000000
Al18	2.095674	2.095674	3.908993	0.000000	0.000000	0.000000
Rh10	1.839470	1.839470	2.430681	0.000000	0.000000	0.000000
Al19	4.493474	4.493474	1.647340	0.000000	0.000000	0.000000
Cu9	0.742924	0.742924	4.389639	0.000000	0.000000	0.000000
Al20	0.039176	0.039176	2.522795	0.000000	0.000000	0.000000
Al21	0.255916	0.255916	1.030184	0.000000	0.000000	0.000000
Al22	5.200530	5.200530	4.925104	0.000000	0.000000	0.000000
Al23	6.357624	6.357624	2.994946	0.000000	0.000000	0.000000
Rh11	1.261283	1.261283	0.724985	0.000000	0.000000	0.000000
Al24	0.927020	0.927020	2.052684	0.000000	0.000000	0.000000
Al25	0.879765	0.879765	5.172848	0.000000	0.000000	0.000000
Cu10	1.507838	1.507838	0.256611	0.000000	0.000000	0.000000
Rh12	1.671864	1.671864	2.136884	0.000000	0.000000	0.000000
Al26	4.215699	4.215699	4.811902	0.000000	0.000000	0.000000
Al27	0.493522	0.493522	2.083150	0.000000	0.000000	0.000000
Al28	1.541817	1.541817	0.785479	0.000000	0.000000	0.000000
Al29	1.727813	1.727813	0.346717	0.000000	0.000000	0.000000
Al30	0.486986	0.486986	0.053278	0.000000	0.000000	0.000000
Al31	6.917780	6.917780	2.354147	0.000000	0.000000	0.000000
Al32	1.482557	1.482557	1.731917	0.000000	0.000000	0.000000
Rh13	2.593321	2.593321	3.568017	0.000000	0.000000	0.000000
Cu11	1.210890	1.210890	4.463547	0.000000	0.000000	0.000000
Cu12	2.740682	2.740682	4.018295	0.000000	0.000000	0.000000
Rh1	2.747106	2.747106	2.624603	0.000000	0.000000	0.000000
Al1	3.564454	3.564454	4.651739	0.000000	0.000000	0.000000
Al2	4.536192	4.536192	3.935122	0.000000	0.000000	0.000000
Al3	4.069540	4.069540	4.280155	0.000000	0.000000	0.000000
Al4	1.822170	1.822170	2.729571	0.000000	0.000000	0.000000
Cu1	3.340166	3.340166	1.607528	0.000000	0.000000	0.000000
Cu2	2.451382	2.451382	2.357656	0.000000	0.000000	0.000000
Rh2	1.028035	1.028035	1.304896	0.000000	0.000000	0.000000
Al5	3.147872	3.147872	2.605767	0.000000	0.000000	0.000000
Al6	0.580988	0.580988	3.469529	0.000000	0.000000	0.000000
Cu3	2.473176	2.473176	1.301305	0.000000	0.000000	0.000000
Rh3	0.998496	0.998496	2.798066	0.000000	0.000000	0.000000
Al7	2.116701	2.116701	2.261229	0.000000	0.000000	0.000000
Al8	0.970277	0.970277	2.488174	0.000000	0.000000	0.000000
Al9	2.205949	2.205949	3.438199	0.000000	0.000000	0.000000
Rh4	2.886882	2.886882	6.440338	0.000000	0.000000	0.000000
Cu4	3.713261	3.713261	1.383900	0.000000	0.000000	0.000000
Rh5	0.655248	0.655248	1.102735	0.000000	0.000000	0.000000
Cu5	0.798317	0.798317	1.890404	0.000000	0.000000	0.000000
Cu6	1.826661	1.826661	3.648921	0.000000	0.000000	0.000000
Rh6	0.712034	0.712034	2.490304	0.000000	0.000000	0.000000
Al10	3.595004	3.595004	2.657448	0.000000	0.000000	0.000000
Cu7	1.071934	1.071934	2.048906	0.000000	0.000000	0.000000
Al11	3.595526	3.595526	3.565753	0.000000	0.000000	0.000000
Al12	3.802093	3.802093	4.326914	0.000000	0.000000	0.000000
Rh7	1.121161	1.121161	0.826857	0.000000	0.000000	0.000000
Al13	0.975404	0.975404	2.580578	0.000000	0.000000	0.000000
Al14	2.384914	2.384914	3.848906	0.000000	0.000000	0.000000
Cu8	1.901095	1.901095	2.587144	0.000000	0.000000	0.000000
Al15	2.751056	2.751056	2.597535	0.000000	0.000000	0.000000
Al16	1.296651	1.296651	2.237778	0.000000	0.000000	0.000000
Al17	3.626348	3.626348	3.238041	0.000000	0.000000	0.000000
Al18	2.850616	2.850616	3.983995	0.000000	0.000000	0.000000
Cu9	4.788876	4.788876	2.141740	0.000000	0.000000	0.000000
Al19	2.224298	2.224298	0.060639	0.000000	0.000000	0.000000
Cu10	3.410376	3.410376	3.908322	0.000000	0.000000	0.000000
Cu11	3.350221	3.350221	4.144575	0.000000	0.000000	0.000000
Cu12	3.393696	3.393696	3.517873	0.000000	0.000000	0.000000

(AlCuRh_1083K_5AS_thick_asymmetric) top

Crystal data top

P1	α = 72°
a = 17.3095 Å	β = 90°
b = 17.3095 Å	γ = 90°
c = 4.2790 Å

Data collection top

h = →	l = →
k = →

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	B_iso*/B_eq	Occ. (<1)
Rh1	0.000000	0.000000	1.088866	0.968292*
Rh2	−1.951445	6.130947	2.348399	4.884885*	0.715503
Al1	−2.750036	8.448234	1.121057	2.006064*
Rh3	−4.604969	14.172636	1.076543	0.628343*
Al2	−6.618866	20.390794	1.252376	3.420809*
Rh4	−7.399141	22.765729	1.076543	1.178691*
Al3	0.815122	2.422544	1.208591	2.457994*
Al4	2.424741	7.458590	1.076543	0.980312*
Cu1	4.622150	14.225408	1.162371	1.740764*
Cu2	5.348955	16.462338	2.328631	1.649384*	0.727526
Rh5	−0.012272	20.357478	1.097252	2.300996*
Al5	−6.476829	25.054375	1.087486	4.064742*
Cu3	0.530354	5.124644	1.076543	1.990634*	0.500000
Rh6	−0.016637	7.708369	1.076543	1.773537*
Al6	0.736388	10.111178	1.076543	0.654627*
Al7	2.594518	12.532512	1.235463	0.909003*
Rh7	−0.107744	12.569054	1.076543	1.365092*
Al8	1.111964	15.029880	1.128683	0.285210*
Al9	−2.023280	14.002019	1.325475	0.515723*
Cu4	3.026758	16.410340	1.076543	1.635839*
Al10	0.794454	17.871369	1.111851	5.160137*
Al11	−2.027651	18.706876	1.189147	0.258235*
Cu5	−4.724811	18.754912	1.076543	0.973979*
Al12	−1.327328	4.085161	2.972961	1.083887*
Rh8	−3.282113	10.101306	3.182308	0.571336*
Al13	−4.315796	12.580139	3.065544	3.250377*
Al14	−5.999130	18.463323	3.177880	2.114644*
Cu6	−7.936925	24.407524	3.151960	3.509001*
Cu7	−8.654795	26.636719	1.958352	2.061114*	0.727526
Rh9	1.267240	3.900058	3.212000	0.549891*
Al15	3.312242	10.193927	2.612462	1.226254*
Cu8	4.062532	12.503186	3.213183	1.258468*
Al16	3.000945	18.168288	3.160420	0.977664*
Al17	−1.220703	21.235474	2.994978	1.704477*	0.500000
Al18	−2.047370	21.836083	1.278890	2.694379*	0.500000
Rh10	−3.380890	22.804880	3.171604	1.812461*
Al19	0.601957	6.479522	3.148774	5.537592*
Cu9	1.312448	8.934580	3.229629	1.334185*
Al20	−1.101403	8.868144	3.189210	0.072856*
Al21	1.426327	11.753162	3.229629	1.188266*
Al22	−0.920199	11.262218	2.970026	3.142513*
Al23	3.314146	14.956451	3.209941	2.357973*
Rh11	1.209420	16.317667	3.229629	1.286978*
Al24	−3.134610	14.896193	3.214497	1.567144*	0.401000
Al25	−1.184386	16.725685	3.010107	1.485782*
Cu10	0.183070	18.931151	3.217177	1.698446*	0.500000
Rh12	−3.119175	17.951083	3.209396	1.723524*
Al26	−3.942166	20.287461	3.097929	4.564266*
Al27	−5.958855	22.621821	3.150840	0.727213*
Al28	−4.702743	21.697298	1.076543	2.482973*
Al29	−0.525983	1.619140	3.194156	1.431630*	0.400000
Al30	−3.458577	11.535445	1.269957	1.203905*	0.500000
Al31	−3.631960	16.512680	1.134400	5.764921*
Al32	−0.329416	14.149869	3.229629	0.801828*
Rh13	−2.015057	6.203189	1.439930	1.407014*	0.284497
Cu11	5.348955	16.462338	1.448187	2.561362*	0.210000
Cu12	−8.654795	26.636719	2.825925	3.144427*	0.210000
Rh1	0.000000	0.000000	1.087393	2.173373*
Al1	−1.951445	1.495072	1.393041	2.231645*
Al2	−2.750036	1.988434	1.109033	3.283174*
Al3	−4.604969	3.345706	1.178596	3.730644*
Al4	−6.618866	4.821260	1.262678	1.800242*
Cu13	−7.399141	5.371782	1.127515	2.997307*	0.000000
Cu14	0.815122	2.455447	2.099953	2.205824*	0.000000
Rh2	2.424741	7.460116	1.119309	1.255276*	0.000000
Al5	4.622150	14.225448	1.278890	3.077752*	0.500000
Al6	5.348955	16.462358	1.160081	1.886434*
Cu15	−0.012272	12.567186	1.076543	2.762355*	0.000000
Rh3	−6.476829	7.870486	1.135591	0.647961*	0.000000
Al7	0.530354	3.790672	1.076543	2.960311*
Al8	−0.016637	4.744476	1.264689	1.744640*
Al9	0.736388	7.114727	1.096940	3.016211*
Rh4	2.594518	10.795557	2.343117	2.400888*	0.000000
Cu16	−0.107744	7.641442	1.076543	3.576341*	0.000000
Rh5	1.111964	10.596168	1.076543	0.857034*	0.000000
Cu17	−2.023280	6.275215	3.134149	0.529934*	0.000000
Cu18	3.026758	13.700316	1.967209	1.844108*	0.727526
Rh6	0.794454	11.979050	3.140790	1.507001*	0.000000
Al10	−2.027651	9.177839	3.050084	2.666799*
Cu19	−4.724811	6.036825	3.213124	0.700002*
Al11	−1.327328	0.964401	3.199531	4.081994*
Al12	−3.282113	2.384595	2.988422	3.337478*	0.500000
Rh7	−4.315796	2.701431	3.190059	0.769333*	0.000000
Al13	−5.999130	4.358562	3.202339	0.031631*
Al14	−7.936925	5.754264	3.129835	2.160768*
Cu20	−8.654795	6.288076	3.229629	1.788105*
Al15	1.267240	3.900099	3.229629	1.190341*	0.500000
Al16	3.312242	10.193967	3.188066	2.472298*
Al17	4.062532	12.503186	3.099645	2.118940*
Al18	3.000945	14.756441	3.067386	4.013157*
Cu21	−1.220703	11.689222	3.217675	2.815370*	0.000000
Al19	−2.047370	11.088613	3.201097	1.055169*	0.400000
Cu22	−3.380890	10.119717	1.489571	3.305688*	0.000000
Cu23	0.601957	4.712207	2.790581	3.205865*	0.000000
Cu24	1.312448	7.064749	2.193510	3.335524*	0.037493

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Rh1	0.968292	0.968292	2.913615	0.000000	0.000000	0.000000
Rh2	4.884885	4.884885	5.354896	0.000000	0.000000	0.000000
Al1	2.006064	2.006064	3.431060	0.000000	0.000000	0.000000
Rh3	0.628343	0.628343	2.766074	0.000000	0.000000	0.000000
Al2	3.420809	3.420809	4.428132	0.000000	0.000000	0.000000
Rh4	1.178691	1.178691	2.859899	0.000000	0.000000	0.000000
Al3	2.457994	2.457994	5.792329	0.000000	0.000000	0.000000
Al4	0.980312	0.980312	2.032623	0.000000	0.000000	0.000000
Cu1	1.740764	1.740764	2.341435	0.000000	0.000000	0.000000
Cu2	1.649384	1.649384	3.953211	0.000000	0.000000	0.000000
Rh5	2.300996	2.300996	2.353574	0.000000	0.000000	0.000000
Al5	4.064742	4.064742	3.656229	0.000000	0.000000	0.000000
Cu3	1.990634	1.990634	2.839221	0.000000	0.000000	0.000000
Rh6	1.773537	1.773537	0.521457	0.000000	0.000000	0.000000
Al6	0.654627	0.654627	1.781393	0.000000	0.000000	0.000000
Al7	0.909003	0.909003	3.746433	0.000000	0.000000	0.000000
Rh7	1.365092	1.365092	1.689977	0.000000	0.000000	0.000000
Al8	0.285210	0.285210	0.502805	0.000000	0.000000	0.000000
Al9	0.515723	0.515723	6.159756	0.000000	0.000000	0.000000
Cu4	1.635839	1.635839	3.806296	0.000000	0.000000	0.000000
Al10	5.160137	5.160137	4.113937	0.000000	0.000000	0.000000
Al11	0.258235	0.258235	2.272731	0.000000	0.000000	0.000000
Cu5	0.973979	0.973979	1.762196	0.000000	0.000000	0.000000
Al12	1.083887	1.083887	2.579725	0.000000	0.000000	0.000000
Rh8	0.571336	0.571336	0.561598	0.000000	0.000000	0.000000
Al13	3.250377	3.250377	4.297996	0.000000	0.000000	0.000000
Al14	2.114644	2.114644	1.794912	0.000000	0.000000	0.000000
Cu6	3.509001	3.509001	3.768535	0.000000	0.000000	0.000000
Cu7	2.061114	2.061114	3.567010	0.000000	0.000000	0.000000
Rh9	0.549891	0.549891	2.802042	0.000000	0.000000	0.000000
Al15	1.226254	1.226254	6.879207	0.000000	0.000000	0.000000
Cu8	1.258468	1.258468	1.866038	0.000000	0.000000	0.000000
Al16	0.977664	0.977664	3.682516	0.000000	0.000000	0.000000
Al17	1.704477	1.704477	3.554926	0.000000	0.000000	0.000000
Al18	2.694379	2.694379	4.866811	0.000000	0.000000	0.000000
Rh10	1.812461	1.812461	1.568381	0.000000	0.000000	0.000000
Al19	5.537592	5.537592	3.238479	0.000000	0.000000	0.000000
Cu9	1.334185	1.334185	2.301866	0.000000	0.000000	0.000000
Al20	0.072856	0.072856	2.501414	0.000000	0.000000	0.000000
Al21	1.188266	1.188266	0.325996	0.000000	0.000000	0.000000
Al22	3.142513	3.142513	4.690473	0.000000	0.000000	0.000000
Al23	2.357973	2.357973	2.904707	0.000000	0.000000	0.000000
Rh11	1.286978	1.286978	1.405966	0.000000	0.000000	0.000000
Al24	1.567144	1.567144	2.254983	0.000000	0.000000	0.000000
Al25	1.485782	1.485782	5.222197	0.000000	0.000000	0.000000
Cu10	1.698446	1.698446	0.267629	0.000000	0.000000	0.000000
Rh12	1.723524	1.723524	2.289706	0.000000	0.000000	0.000000
Al26	4.564266	4.564266	4.721629	0.000000	0.000000	0.000000
Al27	0.727213	0.727213	1.595580	0.000000	0.000000	0.000000
Al28	2.482973	2.482973	1.099042	0.000000	0.000000	0.000000
Al29	1.431630	1.431630	0.976569	0.000000	0.000000	0.000000
Al30	1.203905	1.203905	0.076659	0.000000	0.000000	0.000000
Al31	5.764921	5.764921	2.294930	0.000000	0.000000	0.000000
Al32	0.801828	0.801828	1.149361	0.000000	0.000000	0.000000
Rh13	1.407014	1.407014	5.626515	0.000000	0.000000	0.000000
Cu11	2.561362	2.561362	5.239599	0.000000	0.000000	0.000000
Cu12	3.144427	3.144427	4.249448	0.000000	0.000000	0.000000
Rh1	2.173373	2.173373	2.628641	0.000000	0.000000	0.000000
Al1	2.231645	2.231645	4.725848	0.000000	0.000000	0.000000
Al2	3.283174	3.283174	3.495608	0.000000	0.000000	0.000000
Al3	3.730644	3.730644	4.025758	0.000000	0.000000	0.000000
Al4	1.800242	1.800242	3.404419	0.000000	0.000000	0.000000
Cu1	2.997307	2.997307	2.240743	0.000000	0.000000	0.000000
Cu2	2.205824	2.205824	1.575043	0.000000	0.000000	0.000000
Rh2	1.255276	1.255276	2.578752	0.000000	0.000000	0.000000
Al5	3.077752	3.077752	3.318005	0.000000	0.000000	0.000000
Al6	1.886434	1.886434	3.513117	0.000000	0.000000	0.000000
Cu3	2.762355	2.762355	1.668238	0.000000	0.000000	0.000000
Rh3	0.647961	0.647961	3.730136	0.000000	0.000000	0.000000
Al7	2.960311	2.960311	2.251389	0.000000	0.000000	0.000000
Al8	1.744640	1.744640	3.651719	0.000000	0.000000	0.000000
Al9	3.016211	3.016211	3.741924	0.000000	0.000000	0.000000
Rh4	2.400888	2.400888	6.165281	0.000000	0.000000	0.000000
Cu4	3.576341	3.576341	1.869956	0.000000	0.000000	0.000000
Rh5	0.857034	0.857034	1.495138	0.000000	0.000000	0.000000
Cu5	0.529934	0.529934	0.447844	0.000000	0.000000	0.000000
Cu6	1.844108	1.844108	3.403966	0.000000	0.000000	0.000000
Rh6	1.507001	1.507001	2.621194	0.000000	0.000000	0.000000
Al10	2.666799	2.666799	1.881835	0.000000	0.000000	0.000000
Cu7	0.700002	0.700002	2.754396	0.000000	0.000000	0.000000
Al11	4.081994	4.081994	3.751254	0.000000	0.000000	0.000000
Al12	3.337478	3.337478	4.377516	0.000000	0.000000	0.000000
Rh7	0.769333	0.769333	2.385113	0.000000	0.000000	0.000000
Al13	0.031631	0.031631	1.888333	0.000000	0.000000	0.000000
Al14	2.160768	2.160768	3.981830	0.000000	0.000000	0.000000
Cu8	1.788105	1.788105	2.245245	0.000000	0.000000	0.000000
Al15	1.190341	1.190341	3.292203	0.000000	0.000000	0.000000
Al16	2.472298	2.472298	3.041244	0.000000	0.000000	0.000000
Al17	2.118940	2.118940	3.769563	0.000000	0.000000	0.000000
Al18	4.013157	4.013157	4.814879	0.000000	0.000000	0.000000
Cu9	2.815370	2.815370	1.706614	0.000000	0.000000	0.000000
Al19	1.055169	1.055169	0.080833	0.000000	0.000000	0.000000
Cu10	3.305688	3.305688	4.025820	0.000000	0.000000	0.000000
Cu11	3.205865	3.205865	4.374880	0.000000	0.000000	0.000000
Cu12	3.335524	3.335524	3.198520	0.000000	0.000000	0.000000

(AlCuRh_1153K_5AS_thick_asymmetric) top

Crystal data top

P1	α = 72°
a = 17.3495 Å	β = 90°
b = 17.3495 Å	γ = 90°
c = 4.2840 Å

Data collection top

h = →	l = →
k = →

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	B_iso*/B_eq	Occ. (<1)
Rh1	0.000000	0.000000	1.091412	2.151551*
Rh2	−1.953354	6.157766	2.353890	4.987602*	0.715503
Al1	−2.771580	8.512885	1.123678	3.156102*
Rh3	−4.625826	14.236829	1.079060	1.317855*
Al2	−6.629579	20.511591	1.255306	3.742216*
Rh4	−7.401453	22.766361	1.079060	1.618387*
Al3	0.809491	2.405015	1.211417	5.920371*
Al4	2.495409	7.676074	1.079060	0.036374*
Cu1	4.633438	14.260149	1.165090	1.503825*
Cu2	5.361293	16.500309	2.334077	2.037463*	0.727526
Rh5	0.060434	20.351587	1.099817	1.959002*
Al5	−6.530774	25.140503	1.090028	3.413731*
Cu3	0.516840	5.128754	1.079060	1.931270*	0.500000
Rh6	−0.008907	7.685342	1.079060	2.761949*
Al6	0.800833	10.156481	1.079060	2.443969*
Al7	2.604331	12.577421	1.238352	0.783935*
Rh7	−0.109072	12.639150	1.079060	2.032085*
Al8	1.090113	15.056363	1.131322	0.859009*
Al9	−2.003998	14.069311	1.328574	1.976678*
Cu4	3.014064	16.436706	1.079060	4.359244*
Al10	0.866786	17.914111	1.114451	6.707753*
Al11	−2.043477	18.783843	1.191928	0.730977*
Cu5	−4.756929	18.814505	1.079060	0.752815*
Al12	−1.301971	4.007121	2.979913	0.591892*
Rh8	−3.312764	10.195605	3.189749	0.548812*
Al13	−4.221458	12.637094	3.072713	4.418677*
Al14	−5.989936	18.435129	3.185310	2.318977*
Cu6	−7.968646	24.512990	3.159330	1.005262*
Cu7	−8.674757	26.698157	1.962931	2.147385*	0.727526
Rh9	1.277412	3.931362	3.219512	0.655843*
Al15	3.318751	10.213957	2.618572	1.374225*
Cu8	4.064273	12.508545	3.220696	1.609813*
Al16	3.031559	18.192979	3.167810	0.668067*
Al17	−1.220501	21.282262	3.001981	2.369767*	0.500000
Al18	−2.064964	21.895799	1.281880	3.560742*	0.500000
Rh10	−3.294871	22.789318	3.179021	3.321914*
Al19	0.636172	6.498212	3.156137	3.570866*
Cu9	1.302203	8.980126	3.237181	2.181419*
Al20	−1.085106	8.878441	3.196667	0.024376*
Al21	1.429050	11.757167	3.237181	1.004268*
Al22	−0.930693	11.312674	2.976971	2.716800*
Al23	3.245751	14.863716	3.217447	6.653832*
Rh11	1.278086	16.368119	3.237181	1.531917*
Al24	−3.172560	14.911774	3.222014	1.701818*	0.401000
Al25	−1.203868	16.763809	3.017146	0.811156*
Cu10	0.195761	18.971836	3.224699	2.276045*	0.500000
Rh12	−3.124719	18.000874	3.216901	1.955529*
Al26	−3.888347	20.325931	3.105173	4.639228*
Al27	−5.961860	22.674211	3.158209	0.376869*
Al28	−4.729196	21.814912	1.079060	2.452344*
Al29	−0.533290	1.641497	3.201624	2.152843*	0.400000
Al30	−3.466521	11.560070	1.272926	0.311649*	0.500000
Al31	−3.612493	16.514506	1.137052	6.566734*
Al32	−0.308519	14.154004	3.237181	0.959297*
Rh13	−2.004546	6.169425	1.443297	2.352874*	0.284497
Cu11	5.361293	16.500309	1.451574	3.056447*	0.210000
Cu12	−8.674757	26.698157	2.832533	3.329445*	0.210000
Rh1	0.000000	0.000000	1.089936	2.747106*
Al1	−1.953354	1.509404	1.396299	3.564454*
Al2	−2.771580	2.003065	1.111625	4.536192*
Al3	−4.625826	3.360860	1.181351	4.069540*
Al4	−6.629579	4.883323	1.265631	1.822170*
Cu13	−7.401453	5.369455	1.130152	3.340166*	0.000000
Cu14	0.809491	2.437994	2.104864	2.451382*	0.000000
Rh2	2.495409	7.677604	1.121926	1.028035*	0.000000
Al5	4.633438	14.260190	1.281880	3.147872*	0.500000
Al6	5.361293	16.500329	1.162794	0.580988*
Cu15	0.060434	12.649017	1.079060	2.473176*	0.000000
Rh3	−6.530774	7.860300	1.138247	0.998496*	0.000000
Al7	0.516840	3.777326	1.079060	2.116701*
Al8	−0.008907	4.739332	1.267646	0.970277*
Al9	0.800833	7.218487	1.099505	2.205949*
Rh4	2.604331	10.834848	2.348595	2.886882*	0.000000
Cu16	−0.109072	7.683203	1.079060	3.713261*	0.000000
Rh5	1.090113	10.586849	1.079060	0.655248*	0.000000
Cu17	−2.003998	6.339472	3.141478	0.798317*	0.000000
Cu18	3.014064	13.701687	1.971809	1.826661*	0.727526
Rh6	0.866786	12.090498	3.148134	0.712034*	0.000000
Al10	−2.043477	9.206803	3.057216	3.595004*
Cu19	−4.756929	6.035899	3.220637	1.071934*
Al11	−1.301971	0.945978	3.207012	3.595526*
Al12	−3.312764	2.406843	2.995410	3.802093*	0.500000
Rh7	−4.221458	2.847532	3.197518	1.121161*	0.000000
Al13	−5.989936	4.351944	3.209827	0.975404*
Al14	−7.968646	5.782156	3.137153	2.384914*
Cu20	−8.674757	6.302580	3.237181	1.901095*
Al15	1.277412	3.931403	3.237181	2.751056*	0.500000
Al16	3.318751	10.213998	3.195521	1.296651*
Al17	4.064273	12.508545	3.106893	3.626348*
Al18	3.031559	14.807691	3.074558	2.850616*
Cu21	−1.220501	11.718376	3.225199	4.788876*	0.000000
Al19	−2.064964	11.104838	3.208582	2.224298*	0.400000
Cu22	−3.294871	10.211220	1.493054	3.410376*	0.000000
Cu23	0.636172	4.763981	2.797106	3.350221*	0.000000
Cu24	1.302203	7.080855	2.198639	3.393696*	0.037493

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Rh1	2.151551	2.151551	2.638971	0.000000	0.000000	0.000000
Rh2	4.987602	4.987602	5.854865	0.000000	0.000000	0.000000
Al1	3.156102	3.156102	2.591966	0.000000	0.000000	0.000000
Rh3	1.317855	1.317855	2.195229	0.000000	0.000000	0.000000
Al2	3.742216	3.742216	4.477398	0.000000	0.000000	0.000000
Rh4	1.618387	1.618387	2.355245	0.000000	0.000000	0.000000
Al3	5.920371	5.920371	6.580872	0.000000	0.000000	0.000000
Al4	0.036374	0.036374	3.311806	0.000000	0.000000	0.000000
Cu1	1.503825	1.503825	1.557273	0.000000	0.000000	0.000000
Cu2	2.037463	2.037463	4.179818	0.000000	0.000000	0.000000
Rh5	1.959002	1.959002	1.019950	0.000000	0.000000	0.000000
Al5	3.413731	3.413731	2.737901	0.000000	0.000000	0.000000
Cu3	1.931270	1.931270	2.886439	0.000000	0.000000	0.000000
Rh6	2.761949	2.761949	1.228793	0.000000	0.000000	0.000000
Al6	2.443969	2.443969	2.342331	0.000000	0.000000	0.000000
Al7	0.783935	0.783935	2.325823	0.000000	0.000000	0.000000
Rh7	2.032085	2.032085	1.759924	0.000000	0.000000	0.000000
Al8	0.859009	0.859009	0.900272	0.000000	0.000000	0.000000
Al9	1.976678	1.976678	5.934497	0.000000	0.000000	0.000000
Cu4	4.359244	4.359244	4.784865	0.000000	0.000000	0.000000
Al10	6.707753	6.707753	4.445260	0.000000	0.000000	0.000000
Al11	0.730977	0.730977	3.207246	0.000000	0.000000	0.000000
Cu5	0.752815	0.752815	2.095081	0.000000	0.000000	0.000000
Al12	0.591892	0.591892	3.198113	0.000000	0.000000	0.000000
Rh8	0.548812	0.548812	1.691619	0.000000	0.000000	0.000000
Al13	4.418677	4.418677	4.275686	0.000000	0.000000	0.000000
Al14	2.318977	2.318977	0.793985	0.000000	0.000000	0.000000
Cu6	1.005262	1.005262	2.646084	0.000000	0.000000	0.000000
Cu7	2.147385	2.147385	3.499858	0.000000	0.000000	0.000000
Rh9	0.655843	0.655843	1.212090	0.000000	0.000000	0.000000
Al15	1.374225	1.374225	5.951054	0.000000	0.000000	0.000000
Cu8	1.609813	1.609813	1.599546	0.000000	0.000000	0.000000
Al16	0.668067	0.668067	3.010557	0.000000	0.000000	0.000000
Al17	2.369767	2.369767	2.801215	0.000000	0.000000	0.000000
Al18	3.560742	3.560742	4.689574	0.000000	0.000000	0.000000
Rh10	3.321914	3.321914	2.547658	0.000000	0.000000	0.000000
Al19	3.570866	3.570866	2.059259	0.000000	0.000000	0.000000
Cu9	2.181419	2.181419	2.324960	0.000000	0.000000	0.000000
Al20	0.024376	0.024376	1.392943	0.000000	0.000000	0.000000
Al21	1.004268	1.004268	1.002865	0.000000	0.000000	0.000000
Al22	2.716800	2.716800	3.527675	0.000000	0.000000	0.000000
Al23	6.653832	6.653832	4.416899	0.000000	0.000000	0.000000
Rh11	1.531917	1.531917	1.843966	0.000000	0.000000	0.000000
Al24	1.701818	1.701818	1.567356	0.000000	0.000000	0.000000
Al25	0.811156	0.811156	6.043993	0.000000	0.000000	0.000000
Cu10	2.276045	2.276045	0.216537	0.000000	0.000000	0.000000
Rh12	1.955529	1.955529	2.541003	0.000000	0.000000	0.000000
Al26	4.639228	4.639228	5.105442	0.000000	0.000000	0.000000
Al27	0.376869	0.376869	2.165720	0.000000	0.000000	0.000000
Al28	2.452344	2.452344	1.039423	0.000000	0.000000	0.000000
Al29	2.152843	2.152843	0.882539	0.000000	0.000000	0.000000
Al30	0.311649	0.311649	0.059222	0.000000	0.000000	0.000000
Al31	6.566734	6.566734	2.461308	0.000000	0.000000	0.000000
Al32	0.959297	0.959297	2.044888	0.000000	0.000000	0.000000
Rh13	2.352874	2.352874	4.574972	0.000000	0.000000	0.000000
Cu11	3.056447	3.056447	4.855199	0.000000	0.000000	0.000000
Cu12	3.329445	3.329445	4.110474	0.000000	0.000000	0.000000
Rh1	2.747106	2.747106	2.624603	0.000000	0.000000	0.000000
Al1	3.564454	3.564454	4.651739	0.000000	0.000000	0.000000
Al2	4.536192	4.536192	3.935122	0.000000	0.000000	0.000000
Al3	4.069540	4.069540	4.280155	0.000000	0.000000	0.000000
Al4	1.822170	1.822170	2.729571	0.000000	0.000000	0.000000
Cu1	3.340166	3.340166	1.607528	0.000000	0.000000	0.000000
Cu2	2.451382	2.451382	2.357656	0.000000	0.000000	0.000000
Rh2	1.028035	1.028035	1.304896	0.000000	0.000000	0.000000
Al5	3.147872	3.147872	2.605767	0.000000	0.000000	0.000000
Al6	0.580988	0.580988	3.469529	0.000000	0.000000	0.000000
Cu3	2.473176	2.473176	1.301305	0.000000	0.000000	0.000000
Rh3	0.998496	0.998496	2.798066	0.000000	0.000000	0.000000
Al7	2.116701	2.116701	2.261229	0.000000	0.000000	0.000000
Al8	0.970277	0.970277	2.488174	0.000000	0.000000	0.000000
Al9	2.205949	2.205949	3.438199	0.000000	0.000000	0.000000
Rh4	2.886882	2.886882	6.440338	0.000000	0.000000	0.000000
Cu4	3.713261	3.713261	1.383900	0.000000	0.000000	0.000000
Rh5	0.655248	0.655248	1.102735	0.000000	0.000000	0.000000
Cu5	0.798317	0.798317	1.890404	0.000000	0.000000	0.000000
Cu6	1.826661	1.826661	3.648921	0.000000	0.000000	0.000000
Rh6	0.712034	0.712034	2.490304	0.000000	0.000000	0.000000
Al10	3.595004	3.595004	2.657448	0.000000	0.000000	0.000000
Cu7	1.071934	1.071934	2.048906	0.000000	0.000000	0.000000
Al11	3.595526	3.595526	3.565753	0.000000	0.000000	0.000000
Al12	3.802093	3.802093	4.326914	0.000000	0.000000	0.000000
Rh7	1.121161	1.121161	0.826857	0.000000	0.000000	0.000000
Al13	0.975404	0.975404	2.580578	0.000000	0.000000	0.000000
Al14	2.384914	2.384914	3.848906	0.000000	0.000000	0.000000
Cu8	1.901095	1.901095	2.587144	0.000000	0.000000	0.000000
Al15	2.751056	2.751056	2.597535	0.000000	0.000000	0.000000
Al16	1.296651	1.296651	2.237778	0.000000	0.000000	0.000000
Al17	3.626348	3.626348	3.238041	0.000000	0.000000	0.000000
Al18	2.850616	2.850616	3.983995	0.000000	0.000000	0.000000
Cu9	4.788876	4.788876	2.141740	0.000000	0.000000	0.000000
Al19	2.224298	2.224298	0.060639	0.000000	0.000000	0.000000
Cu10	3.410376	3.410376	3.908322	0.000000	0.000000	0.000000
Cu11	3.350221	3.350221	4.144575	0.000000	0.000000	0.000000
Cu12	3.393696	3.393696	3.517873	0.000000	0.000000	0.000000

(AlCuRh_1223K_5AS_thick_asymmetric) top

Crystal data top

P1	α = 72°
a = 17.3894 Å	β = 90°
b = 17.3894 Å	γ = 90°
c = 4.2930 Å

Data collection top

h = →	l = →
k = →

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	B_iso*/B_eq	Occ. (<1)
Rh1	0.000000	0.000000	1.085535	2.734077*
Rh2	−1.963198	6.162004	2.341216	6.234790*	0.715503
Al1	−2.755978	8.468037	1.117628	1.549523*
Rh3	−4.636645	14.270126	1.073250	2.016730*
Al2	−6.650696	20.488089	1.248546	2.802125*
Rh4	−7.422753	22.830396	1.073250	1.903231*
Al3	0.820510	2.438730	1.204894	3.944183*
Al4	2.409332	7.411149	1.073250	0.693259*
Cu1	4.631344	14.253703	1.158816	2.165360*
Cu2	5.373630	16.538279	2.321508	2.094809*	0.727526
Rh5	−0.038299	20.470255	1.093895	2.233596*
Al5	−6.562699	25.210632	1.084159	4.444512*
Cu3	0.533610	5.151151	1.073250	1.874017*	0.500000
Rh6	−0.057754	7.746761	1.073250	1.751605*
Al6	0.749133	10.183757	1.073250	1.239708*
Al7	2.611338	12.656100	1.231684	2.645314*
Rh7	−0.125251	12.647203	1.073250	1.637703*
Al8	1.138248	15.099830	1.125230	1.505430*
Al9	−2.042647	14.121470	1.321420	1.680317*
Cu4	3.021108	16.501354	1.073250	5.103942*
Al10	0.863641	17.934538	1.108450	4.056046*
Al11	−2.049671	18.864438	1.185510	2.337567*
Cu5	−4.734233	18.837979	1.073250	1.151375*
Al12	−1.307728	4.025666	2.963867	2.532986*
Rh8	−3.294042	10.140501	3.172574	0.916949*
Al13	−4.161475	12.646751	3.056168	3.409204*
Al14	−5.961041	18.346662	3.168159	3.003110*
Cu6	−7.988267	24.525788	3.142318	1.033936*
Cu7	−8.694719	26.759595	1.952362	2.511269*	0.727526
Rh9	1.285951	3.957642	3.202176	1.027034*
Al15	3.313894	10.199010	2.604472	2.176682*
Cu8	4.066393	12.515069	3.203354	1.662552*
Al16	2.988663	18.271079	3.150753	0.685319*
Al17	−1.234297	21.339219	2.985817	3.749079*	0.500000
Al18	−2.063399	21.941597	1.274978	4.108386*	0.500000
Rh10	−3.367632	22.889116	3.161904	1.819855*
Al19	0.621517	6.479557	3.139143	3.645576*
Cu9	1.341612	9.013259	3.219750	1.807386*
Al20	−1.063897	8.950212	3.179454	0.647469*
Al21	1.437574	11.799962	3.219750	1.091996*
Al22	−1.072957	11.460198	2.960941	3.748717*
Al23	3.284878	14.933753	3.200123	2.474370*
Rh11	1.274120	16.383083	3.219750	1.640114*
Al24	−3.256293	15.137134	3.204665	1.639082*	0.401000
Al25	−1.183718	16.823797	3.000900	0.997672*
Cu10	0.176726	19.002137	3.207336	2.552486*	0.500000
Rh12	−3.147801	18.063288	3.199579	1.964900*
Al26	−3.971914	20.387527	3.088453	4.181471*
Al27	−5.950984	22.691675	3.141203	0.822215*
Al28	−4.717464	21.828587	1.073250	3.034002*
Al29	−0.515535	1.586918	3.184385	2.688432*	0.400000
Al30	−3.505915	11.603815	1.266073	1.599613*	0.500000
Al31	−3.889004	16.671157	1.130930	6.945266*
Al32	−0.334588	14.185865	3.219750	1.395106*
Rh13	−2.005312	6.186203	1.435526	1.713584*	0.284497
Cu11	5.373630	16.538279	1.443758	2.722862*	0.210000
Cu12	−8.694719	26.759595	2.817281	3.309076*	0.210000
Rh1	0.000000	0.000000	1.084067	1.202747*
Al1	−1.963198	1.500450	1.388780	3.005219*
Al2	−2.755978	1.993688	1.105640	2.864757*
Al3	−4.636645	3.368720	1.174991	3.671848*
Al4	−6.650696	4.843973	1.258816	2.753699*
Cu13	−7.422753	5.383992	1.124066	3.517251*	0.000000
Cu14	0.820510	2.471786	2.093530	2.806282*	0.000000
Rh2	2.409332	7.412682	1.115885	1.478892*	0.000000
Al5	4.631344	14.253744	1.274978	3.017249*	0.500000
Al6	5.373630	16.538300	1.156532	3.000019*
Cu15	−0.038299	12.606290	1.073250	3.124679*	0.000000
Rh3	−6.562699	7.866112	1.132118	1.244851*	0.000000
Al7	0.533610	3.810882	1.073250	2.715200*
Al8	−0.057754	4.719868	1.260820	2.727105*
Al9	0.749133	7.174567	1.093584	3.302343*
Rh4	2.611338	10.891712	2.335949	2.836866*	0.000000
Cu16	−0.125251	7.669160	1.073250	4.299981*	0.000000
Rh5	1.138248	10.670298	1.073250	1.064952*	0.000000
Cu17	−2.042647	6.326273	3.124563	0.184997*	0.000000
Cu18	3.021108	13.749923	1.961191	2.405064*	0.727526
Rh6	0.863641	12.099425	3.131183	1.262643*	0.000000
Al10	−2.049671	9.249331	3.040755	2.600135*
Cu19	−4.734233	6.077086	3.203296	1.569541*
Al11	−1.307728	0.950672	3.189744	4.156929*
Al12	−3.294042	2.394795	2.979280	3.832084*	0.500000
Rh7	−4.161475	2.924015	3.180301	1.749882*	0.000000
Al13	−5.961041	4.331236	3.192544	0.902208*
Al14	−7.988267	5.766999	3.120262	2.908613*
Cu20	−8.694719	6.317083	3.219750	2.484817*
Al15	1.285951	3.957683	3.219750	4.149759*	0.500000
Al16	3.313894	10.199051	3.178315	0.083621*
Al17	4.066393	12.515069	3.090164	1.919009*
Al18	2.988663	14.805532	3.058003	5.494243*
Cu21	−1.234297	11.737360	3.207833	2.054193*	0.000000
Al19	−2.063399	11.134982	3.191305	1.947630*	0.400000
Cu22	−3.367632	10.187363	1.485015	3.366048*	0.000000
Cu23	0.621517	4.735223	2.782046	3.358664*	0.000000
Cu24	1.341612	7.147660	2.186801	3.392131*	0.037493

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Rh1	2.734077	2.734077	2.060764	0.000000	0.000000	0.000000
Rh2	6.234790	6.234790	6.826446	0.000000	0.000000	0.000000
Al1	1.549523	1.549523	3.281890	0.000000	0.000000	0.000000
Rh3	2.016730	2.016730	3.580663	0.000000	0.000000	0.000000
Al2	2.802125	2.802125	4.219738	0.000000	0.000000	0.000000
Rh4	1.903231	1.903231	3.122848	0.000000	0.000000	0.000000
Al3	3.944183	3.944183	5.797306	0.000000	0.000000	0.000000
Al4	0.693259	0.693259	3.979469	0.000000	0.000000	0.000000
Cu1	2.165360	2.165360	1.520185	0.000000	0.000000	0.000000
Cu2	2.094809	2.094809	5.141464	0.000000	0.000000	0.000000
Rh5	2.233596	2.233596	2.723493	0.000000	0.000000	0.000000
Al5	4.444512	4.444512	3.597944	0.000000	0.000000	0.000000
Cu3	1.874017	1.874017	2.783330	0.000000	0.000000	0.000000
Rh6	1.751605	1.751605	2.056134	0.000000	0.000000	0.000000
Al6	1.239708	1.239708	2.757245	0.000000	0.000000	0.000000
Al7	2.645314	2.645314	3.557548	0.000000	0.000000	0.000000
Rh7	1.637703	1.637703	2.054848	0.000000	0.000000	0.000000
Al8	1.505430	1.505430	0.877939	0.000000	0.000000	0.000000
Al9	1.680317	1.680317	5.434124	0.000000	0.000000	0.000000
Cu4	5.103942	5.103942	5.506586	0.000000	0.000000	0.000000
Al10	4.056046	4.056046	2.020642	0.000000	0.000000	0.000000
Al11	2.337567	2.337567	4.968761	0.000000	0.000000	0.000000
Cu5	1.151375	1.151375	1.668824	0.000000	0.000000	0.000000
Al12	2.532986	2.532986	3.305970	0.000000	0.000000	0.000000
Rh8	0.916949	0.916949	1.031763	0.000000	0.000000	0.000000
Al13	3.409204	3.409204	4.659553	0.000000	0.000000	0.000000
Al14	3.003110	3.003110	1.805663	0.000000	0.000000	0.000000
Cu6	1.033936	1.033936	3.273403	0.000000	0.000000	0.000000
Cu7	2.511269	2.511269	4.185098	0.000000	0.000000	0.000000
Rh9	1.027034	1.027034	0.805494	0.000000	0.000000	0.000000
Al15	2.176682	2.176682	5.914308	0.000000	0.000000	0.000000
Cu8	1.662552	1.662552	1.185716	0.000000	0.000000	0.000000
Al16	0.685319	0.685319	3.264928	0.000000	0.000000	0.000000
Al17	3.749079	3.749079	3.393813	0.000000	0.000000	0.000000
Al18	4.108386	4.108386	4.166106	0.000000	0.000000	0.000000
Rh10	1.819855	1.819855	1.826166	0.000000	0.000000	0.000000
Al19	3.645576	3.645576	3.991846	0.000000	0.000000	0.000000
Cu9	1.807386	1.807386	3.898606	0.000000	0.000000	0.000000
Al20	0.647469	0.647469	2.893294	0.000000	0.000000	0.000000
Al21	1.091996	1.091996	0.624424	0.000000	0.000000	0.000000
Al22	3.748717	3.748717	5.352008	0.000000	0.000000	0.000000
Al23	2.474370	2.474370	3.361107	0.000000	0.000000	0.000000
Rh11	1.640114	1.640114	2.139906	0.000000	0.000000	0.000000
Al24	1.639082	1.639082	2.353121	0.000000	0.000000	0.000000
Al25	0.997672	0.997672	5.594151	0.000000	0.000000	0.000000
Cu10	2.552486	2.552486	0.936460	0.000000	0.000000	0.000000
Rh12	1.964900	1.964900	2.649516	0.000000	0.000000	0.000000
Al26	4.181471	4.181471	4.887083	0.000000	0.000000	0.000000
Al27	0.822215	0.822215	3.022641	0.000000	0.000000	0.000000
Al28	3.034002	3.034002	2.960256	0.000000	0.000000	0.000000
Al29	2.688432	2.688432	1.089675	0.000000	0.000000	0.000000
Al30	1.599613	1.599613	0.095293	0.000000	0.000000	0.000000
Al31	6.945266	6.945266	3.985329	0.000000	0.000000	0.000000
Al32	1.395106	1.395106	2.090251	0.000000	0.000000	0.000000
Rh13	1.713584	1.713584	4.942843	0.000000	0.000000	0.000000
Cu11	2.722862	2.722862	4.790448	0.000000	0.000000	0.000000
Cu12	3.309076	3.309076	4.124963	0.000000	0.000000	0.000000
Rh1	1.202747	1.202747	1.371565	0.000000	0.000000	0.000000
Al1	3.005219	3.005219	4.540138	0.000000	0.000000	0.000000
Al2	2.864757	2.864757	3.463980	0.000000	0.000000	0.000000
Al3	3.671848	3.671848	3.898619	0.000000	0.000000	0.000000
Al4	2.753699	2.753699	4.448070	0.000000	0.000000	0.000000
Cu1	3.517251	3.517251	2.655881	0.000000	0.000000	0.000000
Cu2	2.806282	2.806282	2.846365	0.000000	0.000000	0.000000
Rh2	1.478892	1.478892	2.418486	0.000000	0.000000	0.000000
Al5	3.017249	3.017249	2.778957	0.000000	0.000000	0.000000
Al6	3.000019	3.000019	3.528718	0.000000	0.000000	0.000000
Cu3	3.124679	3.124679	1.105784	0.000000	0.000000	0.000000
Rh3	1.244851	1.244851	3.188227	0.000000	0.000000	0.000000
Al7	2.715200	2.715200	1.439253	0.000000	0.000000	0.000000
Al8	2.727105	2.727105	3.656645	0.000000	0.000000	0.000000
Al9	3.302343	3.302343	3.633427	0.000000	0.000000	0.000000
Rh4	2.836866	2.836866	6.721722	0.000000	0.000000	0.000000
Cu4	4.299981	4.299981	1.826693	0.000000	0.000000	0.000000
Rh5	1.064952	1.064952	1.512825	0.000000	0.000000	0.000000
Cu5	0.184997	0.184997	0.789547	0.000000	0.000000	0.000000
Cu6	2.405064	2.405064	4.432932	0.000000	0.000000	0.000000
Rh6	1.262643	1.262643	2.309750	0.000000	0.000000	0.000000
Al10	2.600135	2.600135	2.399425	0.000000	0.000000	0.000000
Cu7	1.569541	1.569541	1.485592	0.000000	0.000000	0.000000
Al11	4.156929	4.156929	3.545631	0.000000	0.000000	0.000000
Al12	3.832084	3.832084	4.126722	0.000000	0.000000	0.000000
Rh7	1.749882	1.749882	2.268481	0.000000	0.000000	0.000000
Al13	0.902208	0.902208	2.619179	0.000000	0.000000	0.000000
Al14	2.908613	2.908613	3.790829	0.000000	0.000000	0.000000
Cu8	2.484817	2.484817	2.815783	0.000000	0.000000	0.000000
Al15	4.149759	4.149759	3.634751	0.000000	0.000000	0.000000
Al16	0.083621	0.083621	1.760280	0.000000	0.000000	0.000000
Al17	1.919009	1.919009	3.150466	0.000000	0.000000	0.000000
Al18	5.494243	5.494243	4.430874	0.000000	0.000000	0.000000
Cu9	2.054193	2.054193	2.823217	0.000000	0.000000	0.000000
Al19	1.947630	1.947630	0.084515	0.000000	0.000000	0.000000
Cu10	3.366048	3.366048	3.909864	0.000000	0.000000	0.000000
Cu11	3.358664	3.358664	4.228026	0.000000	0.000000	0.000000
Cu12	3.392131	3.392131	3.680782	0.000000	0.000000	0.000000

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