Thulium nickel/lithium distannide, TmNi1−xLixSn2 (x = 0.035)

Stetskiv, A.; Tarasiuk, I.; Misztal, R.; Pavlyuk, V.

doi:10.1107/S1600536813027335

inorganic compounds

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Volume 69| Part 11| November 2013| Page i76

doi:10.1107/S1600536813027335

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Thulium nickel/lithium distannide, TmNi_1−xLi_xSn₂ (x = 0.035)

Andrij Stetskiv,^a Ivan Tarasiuk,^b ^* Renata Misztal ^c and Volodymyr Pavlyuk ^b,^c

^aIvano-Frankivsk National Medical University, Department of Chemistry, Galytska str. 2, 76018 Ivano-Frankivsk, Ukraine, ^bDepartment of Inorganic Chemistry, Ivan Franko Lviv National University, Kyryla and Mefodiya str. 6, 79005 Lviv, Ukraine, and ^cInstitute of Chemistry, Environment Protection and Biotechnology, Jan Dlugosz University, al. Armii Krajowej 13/15, 42-200 Czestochowa, Poland
^*Correspondence e-mail: tarasiuk.i@gmail.com

(Received 27 September 2013; accepted 4 October 2013; online 12 October 2013)

The quaternary thulium nickel/lithium distannide, TmNi_1−xLi_xSn₂ (x = 0.035), crystallizes in the orthorhombic LuNiSn₂ structure type. The asymmetric unit contains three Tm sites, six Sn sites, two Ni sites and one Ni/Li site [relative occupancies = 0.895 (8):0.185 (8)]. Site symmetries are .m. for all atoms. The 17-, 18- and 19-vertex distorted pseudo-Frank–Kasper polyhedra are typical for all Tm atoms. Four Sn atoms are enclosed in a 12-vertex deformed cubooctahedron, and another Sn atom is enclosed in a pentagonal prism with three added atoms. A tricapped trigonal prism is typical for a further Sn atom. The coordination number for all Ni atoms and Ni/Li statistical mixtures is 12 (fourcapped trigonal prism [Ni/LiTm₅Sn₅]). Tm atoms form the base of a prism and Ni/Li atoms are at the centres of the side faces of an [SnTm₆Ni/Li₃] prism. These isolated prisms are implemented into three-dimensional-nets built out of Sn atoms. Electronic structure calculations using TB-LMTO-ASA suggest that the Tm and Ni/Li atoms form positively charged n[TmNi/Li]^m+ polycations which compensate the negative charge of 2n[Sn]^m− polyanions. Analysis of the interatomic distances and electronic structure calculations indicate the dominance of a metallic type of bonding.

CCDC reference: 964950

Related literature

For isotypic structures, see: Komarovskaya et al. (1983 ). For background of the study and related structures, see: Pavlyuk & Bodak (1992a ,b ); Pavlyuk et al. (1989a ,b , 1991 , 1993 ); Stetskiv et al. (2012 , 2013 ). For electronic structure calculations, see: Andersen et al. (1986 ).

Experimental

Crystal data

TmNi_0.965Li_0.035Sn₂
M_r = 463.23
Orthorhombic, P n m a
a = 16.0285 (11) Å
b = 4.3862 (4) Å
c = 14.3684 (10) Å
V = 1010.16 (14) Å³
Z = 12
Mo Kα radiation
μ = 45.77 mm⁻¹
T = 293 K
0.07 × 0.03 × 0.02 mm

Data collection

Oxford Diffraction Xcalibur3 CCD diffractometer
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2008 $[Oxford Diffraction (2008). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, Oxfordshire, England.]$ ) T_min = 0.213, T_max = 0.403
6737 measured reflections
1304 independent reflections
1096 reflections with I > 2σ(I)
R_int = 0.034

Refinement

R[F² > 2σ(F²)] = 0.026
wR(F²) = 0.060
S = 1.18
1304 reflections
76 parameters
Δρ_max = 2.07 e Å⁻³
Δρ_min = −2.13 e Å⁻³

Data collection: CrysAlis CCD (Oxford Diffraction, 2008 $[Oxford Diffraction (2008). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, Oxfordshire, England.]$ ); cell refinement: CrysAlis CCD; data reduction: CrysAlis RED (Oxford Diffraction, 2008 $[Oxford Diffraction (2008). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, Oxfordshire, England.]$ ); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2006 ); software used to prepare material for publication: SHELXL97.

Supporting information

CCDC reference: 964950

Crystal structure: contains datablocks I, New_Global_Publ_Block. DOI: 10.1107/S1600536813027335/ff2120sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536813027335/ff2120Isup2.hkl

checkCIF report

Comment top

The RETSn₂ and RET_xSn2 (x<1) type metallic compounds where RE is a rare-earth element (Gd—Lu) and T is a d-electron element crystallize in different orthorhombic crystal structures LuNiSn₂ (space group Pnma) and CeNiSi₂-type (space group Cmcm) respectively. In the ternary RELiSn₂ compounds lithium atoms occupy the same crystallographic position as the atoms of transition metal in the original CeNiSi₂ structure type (Pavlyuk et al., 1989a). Previous structural studies of the four-component alloys from TbLiSn₂–TbZnSn₂ sections indicate the existence of TbLi_1–_xZn_xSn₂ limited solid solution (Stetskiv et al., 2012). X-ray single-crystal study showed that the TbLi_1–_xZn_xSn₂ solid solution was formed by the partial substitution of lithium atoms by zinc atoms in 4c site. The ability of lithium atoms to partially substitute the atoms of transition metals was previously observed by us while studying solid solutions RELi_xCu_2–_xSi₂ and RELi_xCu_2–_xGe₂ (Pavlyuk et al., 1993). The ordered substitution of transition metals by lithium is observed for Tm_2.22Co₆Sn₂₀ and TmLi₂Co₆Sn₂₀ stannides (Stetskiv et al., 2013). The ability of lithium atoms to occupy the same crystallographic position as the atoms of transition metal was observed previously while studying compounds RELiGe with the ZrNiAl-type (Pavlyuk et al., 1991 and Pavlyuk & Bodak, 1992a), RE₃Li₂Ge₃ with Hf₃Ni₂Si₃-type (Pavlyuk & Bodak, 1992b) and Yb₅Li₄Ge₄ with Nb₅Cu₄Si₄-type (Pavlyuk et al., 1989b).

The four-component phase TmNi_1–xLi_xSn₂ with low content of lithium from the TmLiSn₂–TmNiSn₂ section was detected by us during the systematic study of alloys of Tm—Ni—Li—Sn system. Selected single-crystal data show that the title compound crystallizes with the orthorhombic space group Pnma as a LuNiSn₂-type (Komarovskaya et al., 1983). The projection of the unit cell and coordination polyhedra of the atoms are shown in Fig. 1. The Tm atoms are enclosed in 17-, 18- and 19-vertex distorted pseudo Frank-Kasper polyhedra. The coordination polyhedron of Sn4, Sn7, Sn8 and Sn9 atoms is 12-vertex distorted cubooctahedron. The Sn5 is enclosed in pentagonal prism with three added atoms. The tricapped trigonal prism is typical for Sn6 atom. The environment of the Ni atoms and Ni/Li statistical mixture is a fourcapped trigonal prism and a coordination number equals 10 (Tm₅Sn₅).

The distribution of nickel/lithium and thulium atoms in three-dimensional-nets built of Sn atoms is shown in Fig. 2. The thulium and nickel/lithium atoms form tricapped trigonal prism around Sn6. Thulium atoms form the base of prism and nickel/lithium atoms centre side faces of [SnTm₆Ni/Li₃] prism. These isolated prisms are implemented into three-dimensional-nets built of tin atoms. The data of electronic structure calculations using the TB-LMTO-ASA (Andersen et al., 1986) suggest that thulium and nickel/lithium atoms form a positively charged n[TmNi/Li]^m+ polycations which compensate the negative charge of 2n[Sn]^m- polyanions (Fig. 3 A). Of course, this suggestion is based on the partial charges. All interatomic distances are values which correlate well with the atomic size; metallic type of bonding was indicated. A significant density of states (DOS) at the Fermi level (Fig. 3B) also indicates dominance of metallic bonding.

Related literature top

For isostructural/isotypic structures, see: Komarovskaya et al. (1983). For background of the study and related structures, see: Pavlyuk & Bodak (1992a,b); Pavlyuk et al. (1989a,b, 1991, 1993); Stetskiv et al. (2012, 2013). For electronic structure calculations, see: Andersen et al., (1986).

Experimental top

Thulium, nickel, lithium and tin, all with a nominal purity more than 99.9 wt. %, were used as starting elements. First, the pieces of the pure metals with a stoichiometry Tm₂₅Ni₂₀Li₅Sn₅₀ were pressed into pellet, enclosed in tantalum crucible and placed in a resistance furnace with a thermocouple controller. Heating rate from room temperature to 670 K was equal to 5 K per minute. At this temperature the alloy was kept over 2 d and then the temperature was increased from 670 to 1070 K over 1 h. Then, the alloy was annealed at this temperature for 8 h and slowly cooled down to room temperature. After the melting and annealing procedures, the total weight loss was less than 2%. Small good quality single-crystal of the title compound was isolated from the alloy.

The synthesized alloy is practically single-phase. Therefore, in order to confirm the accuracy of the compositions, the density of the alloy was determined using the volumetric method. The measured density is 9.08 (5) Mg m^-3, and these values differ by less than 1% from the densities calculated from the X-ray data. For the TmNiSn₂ ternary phase density is 9,19 Mg m^-3 (Komarovskaya et al., 1983).

Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2008); cell refinement: CrysAlis CCD (Oxford Diffraction, 2008); data reduction: CrysAlis RED (Oxford Diffraction, 2008); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2006); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top

	Fig. 1. The projection of the unit cell and coordination polyhedra of the atoms.
	Fig. 2. The distribution of thulium and nickel/lithium atoms in three-dimensional-nets built of the Sn atoms.
	Fig. 3. (A) Isosurfaces of electron localization function (ELF) around the atoms, positively charged n[TmNi/Li]^m+ polycations marked by the violet dotted line and the negatively charged 2n[Sn]^m- polyanions marked by the yellow dotted line. (B) Total and partial DOS.

Thulium nickel/lithium distannide top

Crystal data top

TmNi_0.965Li_0.035Sn₂	F(000) = 2353.5
M_r = 463.23	D_x = 9.138 Mg m⁻³
Orthorhombic, Pnma	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2n	Cell parameters from 1304 reflections
a = 16.0285 (11) Å	θ = 3.8–27.5°
b = 4.3862 (4) Å	µ = 45.77 mm⁻¹
c = 14.3684 (10) Å	T = 293 K
V = 1010.16 (14) Å³	Prism, metallic dark gray
Z = 12	0.07 × 0.03 × 0.02 mm

Data collection top

Oxford Diffraction Xcalibur3 CCD diffractometer	1304 independent reflections
Radiation source: fine-focus sealed tube	1096 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.034
Detector resolution: 0 pixels mm^-1	θ_max = 27.5°, θ_min = 3.8°
ω scans	h = −20→20
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2008)	k = −3→5
T_min = 0.213, T_max = 0.403	l = −18→18
6737 measured reflections

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.026	w = 1/[σ²(F_o²) + (0.023P)² + 11.3465P] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.060	(Δ/σ)_max = 0.006
S = 1.18	Δρ_max = 2.07 e Å⁻³
1304 reflections	Δρ_min = −2.13 e Å⁻³
76 parameters	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.00030 (3)

Crystal data top

TmNi_0.965Li_0.035Sn₂	V = 1010.16 (14) Å³
M_r = 463.23	Z = 12
Orthorhombic, Pnma	Mo Kα radiation
a = 16.0285 (11) Å	µ = 45.77 mm⁻¹
b = 4.3862 (4) Å	T = 293 K
c = 14.3684 (10) Å	0.07 × 0.03 × 0.02 mm

Data collection top

Oxford Diffraction Xcalibur3 CCD diffractometer	1304 independent reflections
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2008)	1096 reflections with I > 2σ(I)
T_min = 0.213, T_max = 0.403	R_int = 0.034
6737 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.026	0 restraints
wR(F²) = 0.060	w = 1/[σ²(F_o²) + (0.023P)² + 11.3465P] where P = (F_o² + 2F_c²)/3
S = 1.18	Δρ_max = 2.07 e Å⁻³
1304 reflections	Δρ_min = −2.13 e Å⁻³
76 parameters

Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	U_iso*/U_eq	Occ. (<1)
Tm1	0.35386 (4)	0.2500	0.10177 (4)	0.01166 (15)
Tm2	0.15061 (4)	0.2500	−0.02797 (4)	0.01120 (15)
Tm3	0.12704 (4)	0.2500	0.22713 (4)	0.01269 (15)
Sn4	0.02119 (5)	−0.2500	−0.07931 (6)	0.0105 (2)
Sn5	0.46864 (6)	−0.2500	0.23607 (7)	0.0158 (2)
Sn6	0.21452 (6)	−0.2500	0.10507 (6)	0.0129 (2)
Sn7	0.32559 (6)	0.2500	−0.13071 (6)	0.0118 (2)
Sn8	0.31632 (6)	0.2500	0.32114 (7)	0.0157 (2)
Sn9	0.45722 (6)	−0.2500	−0.05229 (7)	0.0154 (2)
Ni10	0.29945 (11)	−0.2500	−0.04622 (13)	0.0133 (4)
Ni11	0.05291 (10)	−0.2500	0.10639 (12)	0.0122 (4)
Ni12	0.30709 (12)	−0.2500	0.24440 (14)	0.0162 (7)	0.895 (8)
Li12	0.30709 (12)	−0.2500	0.24440 (14)	0.0162 (7)	0.105 (8)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Tm1	0.0109 (3)	0.0140 (3)	0.0100 (3)	0.000	0.0005 (2)	0.000
Tm2	0.0107 (3)	0.0124 (3)	0.0105 (3)	0.000	0.0011 (2)	0.000
Tm3	0.0157 (3)	0.0136 (3)	0.0087 (3)	0.000	−0.0028 (2)	0.000
Sn4	0.0092 (4)	0.0106 (4)	0.0117 (4)	0.000	0.0002 (3)	0.000
Sn5	0.0162 (5)	0.0174 (4)	0.0138 (5)	0.000	−0.0035 (4)	0.000
Sn6	0.0117 (5)	0.0124 (4)	0.0145 (5)	0.000	0.0009 (3)	0.000
Sn7	0.0140 (5)	0.0106 (4)	0.0107 (5)	0.000	0.0014 (3)	0.000
Sn8	0.0114 (5)	0.0231 (5)	0.0127 (5)	0.000	−0.0001 (3)	0.000
Sn9	0.0087 (5)	0.0174 (5)	0.0201 (5)	0.000	−0.0015 (4)	0.000
Ni10	0.0117 (9)	0.0143 (8)	0.0138 (9)	0.000	−0.0009 (7)	0.000
Ni11	0.0116 (8)	0.0124 (8)	0.0127 (9)	0.000	−0.0004 (6)	0.000
Ni12	0.0220 (12)	0.0148 (11)	0.0117 (11)	0.000	−0.0044 (8)	0.000
Li12	0.0220 (12)	0.0148 (11)	0.0117 (11)	0.000	−0.0044 (8)	0.000

Geometric parameters (Å, º) top

Tm1—Li12ⁱ	3.0938 (15)	Sn5—Tm1^xi	3.4522 (9)
Tm1—Ni12ⁱ	3.0938 (15)	Sn6—Ni12	2.492 (2)
Tm1—Ni12	3.0938 (15)	Sn6—Ni10	2.565 (2)
Tm1—Sn9ⁱⁱ	3.1104 (11)	Sn6—Ni11	2.5904 (19)
Tm1—Sn6	3.1306 (8)	Sn6—Tm2^xi	3.0844 (8)
Tm1—Sn6ⁱ	3.1306 (8)	Sn6—Tm1^xi	3.1306 (8)
Tm1—Ni10	3.1768 (14)	Sn6—Tm3^xi	3.1387 (8)
Tm1—Ni10ⁱ	3.1768 (14)	Sn7—Ni10ⁱ	2.5415 (10)
Tm1—Sn8	3.2089 (11)	Sn7—Ni10	2.5415 (10)
Tm1—Sn7	3.3711 (11)	Sn7—Li12ⁱⁱⁱ	2.783 (2)
Tm1—Sn5ⁱ	3.4522 (9)	Sn7—Ni12ⁱⁱⁱ	2.783 (2)
Tm2—Sn6ⁱ	3.0844 (8)	Sn7—Tm3ⁱⁱⁱ	3.0916 (8)
Tm2—Sn6	3.0844 (8)	Sn7—Tm3^iv	3.0916 (8)
Tm2—Sn4	3.1076 (8)	Sn7—Sn8ⁱⁱⁱ	3.2345 (9)
Tm2—Sn4ⁱ	3.1076 (8)	Sn7—Sn8^iv	3.2345 (9)
Tm2—Sn8ⁱⁱⁱ	3.1290 (8)	Sn7—Sn9ⁱ	3.2451 (10)
Tm2—Sn8^iv	3.1290 (8)	Sn7—Sn9	3.2451 (10)
Tm2—Sn4^v	3.1557 (11)	Sn8—Ni12	2.4591 (10)
Tm2—Sn7	3.1695 (11)	Sn8—Li12ⁱ	2.4591 (10)
Tm2—Ni10ⁱ	3.2512 (13)	Sn8—Ni12ⁱ	2.4591 (10)
Tm2—Ni10	3.2512 (13)	Sn8—Ni10^vii	2.660 (2)
Tm2—Ni11ⁱ	3.3150 (13)	Sn8—Sn4^vii	2.9714 (13)
Tm2—Ni11	3.3150 (13)	Sn8—Tm2^vi	3.1290 (8)
Tm3—Ni11	3.0383 (13)	Sn8—Tm2^vii	3.1290 (8)
Tm3—Ni11ⁱ	3.0383 (13)	Sn8—Sn7^vii	3.2345 (9)
Tm3—Sn7^vi	3.0916 (8)	Sn8—Sn7^vi	3.2345 (9)
Tm3—Sn7^vii	3.0916 (8)	Sn9—Ni10	2.5303 (19)
Tm3—Sn6	3.1387 (8)	Sn9—Sn9ⁱⁱ	2.9914 (13)
Tm3—Sn6ⁱ	3.1387 (8)	Sn9—Sn9^xiv	2.9914 (13)
Tm3—Sn4^v	3.1868 (10)	Sn9—Tm1ⁱⁱ	3.1104 (11)
Tm3—Sn8	3.3210 (11)	Sn9—Sn7^xi	3.2451 (10)
Tm3—Sn5^viii	3.3963 (8)	Sn9—Tm3ⁱⁱⁱ	3.4450 (12)
Tm3—Sn5^ix	3.3963 (8)	Sn9—Tm1^xi	3.5291 (9)
Tm3—Sn9^vii	3.4450 (12)	Ni10—Sn7^xi	2.5415 (10)
Tm3—Ni10^vii	3.4631 (19)	Ni10—Sn8ⁱⁱⁱ	2.660 (2)
Sn4—Ni11^x	2.5242 (9)	Ni10—Tm1^xi	3.1768 (14)
Sn4—Ni11^v	2.5242 (9)	Ni10—Tm2^xi	3.2512 (13)
Sn4—Ni11	2.7163 (19)	Ni10—Tm3ⁱⁱⁱ	3.4631 (19)
Sn4—Sn8ⁱⁱⁱ	2.9714 (13)	Ni11—Sn4^x	2.5242 (9)
Sn4—Tm2^xi	3.1076 (8)	Ni11—Sn4^v	2.5242 (9)
Sn4—Tm2^v	3.1557 (11)	Ni11—Sn5^viii	2.636 (2)
Sn4—Tm3^v	3.1868 (10)	Ni11—Tm3^xi	3.0383 (13)
Sn4—Sn4^v	3.2350 (13)	Ni11—Tm2^xi	3.3150 (13)
Sn4—Sn4^x	3.2350 (13)	Ni11—Tm2^v	3.4512 (17)
Sn5—Ni12	2.592 (2)	Ni12—Sn8^xi	2.4591 (10)
Sn5—Ni11^xii	2.636 (2)	Ni12—Sn7^vii	2.783 (2)
Sn5—Tm3^xii	3.3963 (9)	Ni12—Tm1^xi	3.0938 (15)
Sn5—Tm3^xiii	3.3963 (8)	Ni12—Tm2^vii	3.340 (2)

Li12ⁱ—Tm1—Ni12ⁱ	0.00 (9)	Tm2—Sn6—Tm3	72.611 (17)
Li12ⁱ—Tm1—Ni12	90.29 (6)	Tm1—Sn6—Tm3	80.659 (16)
Ni12ⁱ—Tm1—Ni12	90.29 (6)	Tm1^xi—Sn6—Tm3	144.75 (4)
Li12ⁱ—Tm1—Sn9ⁱⁱ	112.79 (4)	Tm3^xi—Sn6—Tm3	88.65 (3)
Ni12ⁱ—Tm1—Sn9ⁱⁱ	112.79 (4)	Ni10ⁱ—Sn7—Ni10	119.29 (8)
Ni12—Tm1—Sn9ⁱⁱ	112.79 (4)	Ni10ⁱ—Sn7—Li12ⁱⁱⁱ	100.49 (5)
Li12ⁱ—Tm1—Sn6	108.28 (4)	Ni10—Sn7—Li12ⁱⁱⁱ	100.49 (5)
Ni12ⁱ—Tm1—Sn6	108.28 (4)	Ni10ⁱ—Sn7—Ni12ⁱⁱⁱ	100.49 (5)
Ni12—Tm1—Sn6	47.19 (4)	Ni10—Sn7—Ni12ⁱⁱⁱ	100.49 (5)
Sn9ⁱⁱ—Tm1—Sn6	134.268 (15)	Li12ⁱⁱⁱ—Sn7—Ni12ⁱⁱⁱ	0.00 (8)
Li12ⁱ—Tm1—Sn6ⁱ	47.19 (4)	Ni10ⁱ—Sn7—Tm3ⁱⁱⁱ	165.51 (5)
Ni12ⁱ—Tm1—Sn6ⁱ	47.19 (4)	Ni10—Sn7—Tm3ⁱⁱⁱ	75.16 (4)
Ni12—Tm1—Sn6ⁱ	108.28 (4)	Li12ⁱⁱⁱ—Sn7—Tm3ⁱⁱⁱ	76.21 (4)
Sn9ⁱⁱ—Tm1—Sn6ⁱ	134.268 (15)	Ni12ⁱⁱⁱ—Sn7—Tm3ⁱⁱⁱ	76.21 (4)
Sn6—Tm1—Sn6ⁱ	88.94 (3)	Ni10ⁱ—Sn7—Tm3^iv	75.16 (4)
Li12ⁱ—Tm1—Ni10	150.02 (5)	Ni10—Sn7—Tm3^iv	165.51 (5)
Ni12ⁱ—Tm1—Ni10	150.02 (5)	Li12ⁱⁱⁱ—Sn7—Tm3^iv	76.21 (4)
Ni12—Tm1—Ni10	83.54 (4)	Ni12ⁱⁱⁱ—Sn7—Tm3^iv	76.21 (4)
Sn9ⁱⁱ—Tm1—Ni10	96.56 (4)	Tm3ⁱⁱⁱ—Sn7—Tm3^iv	90.37 (3)
Sn6—Tm1—Ni10	47.98 (4)	Ni10ⁱ—Sn7—Tm2	68.39 (4)
Sn6ⁱ—Tm1—Ni10	107.33 (3)	Ni10—Sn7—Tm2	68.39 (4)
Li12ⁱ—Tm1—Ni10ⁱ	83.54 (4)	Li12ⁱⁱⁱ—Sn7—Tm2	67.91 (5)
Ni12ⁱ—Tm1—Ni10ⁱ	83.54 (4)	Ni12ⁱⁱⁱ—Sn7—Tm2	67.91 (5)
Ni12—Tm1—Ni10ⁱ	150.02 (5)	Tm3ⁱⁱⁱ—Sn7—Tm2	121.67 (2)
Sn9ⁱⁱ—Tm1—Ni10ⁱ	96.56 (4)	Tm3^iv—Sn7—Tm2	121.67 (2)
Sn6—Tm1—Ni10ⁱ	107.33 (3)	Ni10ⁱ—Sn7—Sn8ⁱⁱⁱ	124.84 (5)
Sn6ⁱ—Tm1—Ni10ⁱ	47.98 (4)	Ni10—Sn7—Sn8ⁱⁱⁱ	53.21 (4)
Ni10—Tm1—Ni10ⁱ	87.31 (5)	Li12ⁱⁱⁱ—Sn7—Sn8ⁱⁱⁱ	47.52 (2)
Li12ⁱ—Tm1—Sn8	45.89 (3)	Ni12ⁱⁱⁱ—Sn7—Sn8ⁱⁱⁱ	47.52 (2)
Ni12ⁱ—Tm1—Sn8	45.89 (3)	Tm3ⁱⁱⁱ—Sn7—Sn8ⁱⁱⁱ	63.28 (2)
Ni12—Tm1—Sn8	45.89 (3)	Tm3^iv—Sn7—Sn8ⁱⁱⁱ	120.82 (3)
Sn9ⁱⁱ—Tm1—Sn8	114.02 (3)	Tm2—Sn7—Sn8ⁱⁱⁱ	58.49 (2)
Sn6—Tm1—Sn8	81.45 (2)	Ni10ⁱ—Sn7—Sn8^iv	53.21 (4)
Sn6ⁱ—Tm1—Sn8	81.45 (2)	Ni10—Sn7—Sn8^iv	124.84 (5)
Ni10—Tm1—Sn8	127.30 (3)	Li12ⁱⁱⁱ—Sn7—Sn8^iv	47.52 (2)
Ni10ⁱ—Tm1—Sn8	127.30 (3)	Ni12ⁱⁱⁱ—Sn7—Sn8^iv	47.52 (2)
Li12ⁱ—Tm1—Sn7	128.59 (3)	Tm3ⁱⁱⁱ—Sn7—Sn8^iv	120.82 (3)
Ni12ⁱ—Tm1—Sn7	128.59 (3)	Tm3^iv—Sn7—Sn8^iv	63.28 (2)
Ni12—Tm1—Sn7	128.59 (3)	Tm2—Sn7—Sn8^iv	58.49 (2)
Sn9ⁱⁱ—Tm1—Sn7	84.51 (3)	Sn8ⁱⁱⁱ—Sn7—Sn8^iv	85.38 (3)
Sn6—Tm1—Sn7	85.36 (2)	Ni10ⁱ—Sn7—Sn9ⁱ	50.07 (4)
Sn6ⁱ—Tm1—Sn7	85.36 (2)	Ni10—Sn7—Sn9ⁱ	121.64 (5)
Ni10—Tm1—Sn7	45.56 (3)	Li12ⁱⁱⁱ—Sn7—Sn9ⁱ	136.12 (2)
Ni10ⁱ—Tm1—Sn7	45.56 (3)	Ni12ⁱⁱⁱ—Sn7—Sn9ⁱ	136.12 (2)
Sn8—Tm1—Sn7	161.47 (3)	Tm3ⁱⁱⁱ—Sn7—Sn9ⁱ	123.31 (3)
Li12ⁱ—Tm1—Sn5ⁱ	46.26 (4)	Tm3^iv—Sn7—Sn9ⁱ	65.81 (2)
Ni12ⁱ—Tm1—Sn5ⁱ	46.26 (4)	Tm2—Sn7—Sn9ⁱ	114.43 (3)
Ni12—Tm1—Sn5ⁱ	102.08 (4)	Sn8ⁱⁱⁱ—Sn7—Sn9ⁱ	171.77 (4)
Sn9ⁱⁱ—Tm1—Sn5ⁱ	66.98 (2)	Sn8^iv—Sn7—Sn9ⁱ	94.201 (17)
Sn6—Tm1—Sn5ⁱ	144.76 (3)	Ni10ⁱ—Sn7—Sn9	121.64 (5)
Sn6ⁱ—Tm1—Sn5ⁱ	85.797 (19)	Ni10—Sn7—Sn9	50.07 (4)
Ni10—Tm1—Sn5ⁱ	163.54 (4)	Li12ⁱⁱⁱ—Sn7—Sn9	136.12 (2)
Ni10ⁱ—Tm1—Sn5ⁱ	94.70 (3)	Ni12ⁱⁱⁱ—Sn7—Sn9	136.12 (2)
Sn8—Tm1—Sn5ⁱ	63.31 (2)	Tm3ⁱⁱⁱ—Sn7—Sn9	65.81 (2)
Sn7—Tm1—Sn5ⁱ	128.72 (2)	Tm3^iv—Sn7—Sn9	123.31 (3)
Sn6ⁱ—Tm2—Sn6	90.64 (3)	Tm2—Sn7—Sn9	114.43 (3)
Sn6ⁱ—Tm2—Sn4	150.53 (3)	Sn8ⁱⁱⁱ—Sn7—Sn9	94.201 (17)
Sn6—Tm2—Sn4	82.359 (19)	Sn8^iv—Sn7—Sn9	171.77 (4)
Sn6ⁱ—Tm2—Sn4ⁱ	82.359 (19)	Sn9ⁱ—Sn7—Sn9	85.04 (3)
Sn6—Tm2—Sn4ⁱ	150.53 (3)	Ni10ⁱ—Sn7—Tm1	63.18 (4)
Sn4—Tm2—Sn4ⁱ	89.78 (3)	Ni10—Sn7—Tm1	63.18 (4)
Sn6ⁱ—Tm2—Sn8ⁱⁱⁱ	150.63 (3)	Li12ⁱⁱⁱ—Sn7—Tm1	137.88 (5)
Sn6—Tm2—Sn8ⁱⁱⁱ	82.81 (2)	Ni12ⁱⁱⁱ—Sn7—Tm1	137.88 (5)
Sn4—Tm2—Sn8ⁱⁱⁱ	56.91 (2)	Tm3ⁱⁱⁱ—Sn7—Tm1	128.44 (2)
Sn4ⁱ—Tm2—Sn8ⁱⁱⁱ	116.31 (3)	Tm3^iv—Sn7—Tm1	128.44 (2)
Sn6ⁱ—Tm2—Sn8^iv	82.81 (2)	Tm2—Sn7—Tm1	69.97 (2)
Sn6—Tm2—Sn8^iv	150.63 (3)	Sn8ⁱⁱⁱ—Sn7—Tm1	107.85 (3)
Sn4—Tm2—Sn8^iv	116.31 (3)	Sn8^iv—Sn7—Tm1	107.85 (3)
Sn4ⁱ—Tm2—Sn8^iv	56.91 (2)	Sn9ⁱ—Sn7—Tm1	64.44 (2)
Sn8ⁱⁱⁱ—Tm2—Sn8^iv	89.00 (3)	Sn9—Sn7—Tm1	64.44 (2)
Sn6ⁱ—Tm2—Sn4^v	89.26 (2)	Ni12—Sn8—Li12ⁱ	126.20 (9)
Sn6—Tm2—Sn4^v	89.26 (2)	Ni12—Sn8—Ni12ⁱ	126.20 (9)
Sn4—Tm2—Sn4^v	62.19 (2)	Li12ⁱ—Sn8—Ni12ⁱ	0.00 (12)
Sn4ⁱ—Tm2—Sn4^v	62.19 (2)	Ni12—Sn8—Ni10^vii	106.22 (5)
Sn8ⁱⁱⁱ—Tm2—Sn4^v	119.10 (2)	Li12ⁱ—Sn8—Ni10^vii	106.22 (5)
Sn8^iv—Tm2—Sn4^v	119.10 (2)	Ni12ⁱ—Sn8—Ni10^vii	106.22 (5)
Sn6ⁱ—Tm2—Sn7	89.70 (2)	Ni12—Sn8—Sn4^vii	105.58 (5)
Sn6—Tm2—Sn7	89.70 (2)	Li12ⁱ—Sn8—Sn4^vii	105.58 (5)
Sn4—Tm2—Sn7	118.70 (2)	Ni12ⁱ—Sn8—Sn4^vii	105.58 (5)
Sn4ⁱ—Tm2—Sn7	118.70 (2)	Ni10^vii—Sn8—Sn4^vii	105.46 (5)
Sn8ⁱⁱⁱ—Tm2—Sn7	61.80 (2)	Ni12—Sn8—Tm2^vi	161.07 (5)
Sn8^iv—Tm2—Sn7	61.80 (2)	Li12ⁱ—Sn8—Tm2^vi	72.29 (4)
Sn4^v—Tm2—Sn7	178.52 (3)	Ni12ⁱ—Sn8—Tm2^vi	72.29 (4)
Sn6ⁱ—Tm2—Ni10ⁱ	47.67 (3)	Ni10^vii—Sn8—Tm2^vi	67.78 (3)
Sn6—Tm2—Ni10ⁱ	106.61 (3)	Sn4^vii—Sn8—Tm2^vi	61.18 (2)
Sn4—Tm2—Ni10ⁱ	161.22 (4)	Ni12—Sn8—Tm2^vii	72.29 (4)
Sn4ⁱ—Tm2—Ni10ⁱ	89.69 (3)	Li12ⁱ—Sn8—Tm2^vii	161.07 (5)
Sn8ⁱⁱⁱ—Tm2—Ni10ⁱ	107.01 (3)	Ni12ⁱ—Sn8—Tm2^vii	161.07 (5)
Sn8^iv—Tm2—Ni10ⁱ	49.23 (3)	Ni10^vii—Sn8—Tm2^vii	67.78 (3)
Sn4^v—Tm2—Ni10ⁱ	132.82 (3)	Sn4^vii—Sn8—Tm2^vii	61.18 (2)
Sn7—Tm2—Ni10ⁱ	46.61 (3)	Tm2^vi—Sn8—Tm2^vii	89.00 (3)
Sn6ⁱ—Tm2—Ni10	106.61 (3)	Ni12—Sn8—Tm1	64.59 (5)
Sn6—Tm2—Ni10	47.67 (3)	Li12ⁱ—Sn8—Tm1	64.59 (5)
Sn4—Tm2—Ni10	89.69 (3)	Ni12ⁱ—Sn8—Tm1	64.59 (5)
Sn4ⁱ—Tm2—Ni10	161.22 (4)	Ni10^vii—Sn8—Tm1	146.57 (5)
Sn8ⁱⁱⁱ—Tm2—Ni10	49.23 (3)	Sn4^vii—Sn8—Tm1	107.97 (3)
Sn8^iv—Tm2—Ni10	107.01 (3)	Tm2^vi—Sn8—Tm1	130.45 (2)
Sn4^v—Tm2—Ni10	132.82 (3)	Tm2^vii—Sn8—Tm1	130.45 (2)
Sn7—Tm2—Ni10	46.61 (3)	Ni12—Sn8—Sn7^vii	56.56 (5)
Ni10ⁱ—Tm2—Ni10	84.84 (4)	Li12ⁱ—Sn8—Sn7^vii	131.17 (6)
Sn6ⁱ—Tm2—Ni11ⁱ	47.59 (3)	Ni12ⁱ—Sn8—Sn7^vii	131.17 (6)
Sn6—Tm2—Ni11ⁱ	105.45 (3)	Ni10^vii—Sn8—Sn7^vii	49.92 (3)
Sn4—Tm2—Ni11ⁱ	106.85 (3)	Sn4^vii—Sn8—Sn7^vii	120.89 (3)
Sn4ⁱ—Tm2—Ni11ⁱ	49.91 (3)	Tm2^vi—Sn8—Sn7^vii	116.50 (3)
Sn8ⁱⁱⁱ—Tm2—Ni11ⁱ	161.30 (4)	Tm2^vii—Sn8—Sn7^vii	59.72 (2)
Sn8^iv—Tm2—Ni11ⁱ	91.14 (3)	Tm1—Sn8—Sn7^vii	110.00 (3)
Sn4^v—Tm2—Ni11ⁱ	45.84 (2)	Ni12—Sn8—Sn7^vi	131.17 (6)
Sn7—Tm2—Ni11ⁱ	133.57 (3)	Li12ⁱ—Sn8—Sn7^vi	56.56 (5)
Ni10ⁱ—Tm2—Ni11ⁱ	86.98 (3)	Ni12ⁱ—Sn8—Sn7^vi	56.56 (5)
Ni10—Tm2—Ni11ⁱ	147.13 (5)	Ni10^vii—Sn8—Sn7^vi	49.92 (3)
Sn6ⁱ—Tm2—Ni11	105.45 (3)	Sn4^vii—Sn8—Sn7^vi	120.89 (3)
Sn6—Tm2—Ni11	47.59 (3)	Tm2^vi—Sn8—Sn7^vi	59.72 (2)
Sn4—Tm2—Ni11	49.91 (3)	Tm2^vii—Sn8—Sn7^vi	116.50 (3)
Sn4ⁱ—Tm2—Ni11	106.85 (3)	Tm1—Sn8—Sn7^vi	110.00 (3)
Sn8ⁱⁱⁱ—Tm2—Ni11	91.14 (3)	Sn7^vii—Sn8—Sn7^vi	85.38 (3)
Sn8^iv—Tm2—Ni11	161.30 (4)	Ni12—Sn8—Tm3	76.27 (5)
Sn4^v—Tm2—Ni11	45.84 (2)	Li12ⁱ—Sn8—Tm3	76.27 (5)
Sn7—Tm2—Ni11	133.57 (3)	Ni12ⁱ—Sn8—Tm3	76.27 (5)
Ni10ⁱ—Tm2—Ni11	147.13 (5)	Ni10^vii—Sn8—Tm3	69.76 (5)
Ni10—Tm2—Ni11	86.98 (3)	Sn4^vii—Sn8—Tm3	175.22 (4)
Ni11ⁱ—Tm2—Ni11	82.84 (4)	Tm2^vi—Sn8—Tm3	115.88 (2)
Ni11—Tm3—Ni11ⁱ	92.41 (5)	Tm2^vii—Sn8—Tm3	115.88 (2)
Ni11—Tm3—Sn7^vi	170.17 (4)	Tm1—Sn8—Tm3	76.81 (3)
Ni11ⁱ—Tm3—Sn7^vi	87.78 (3)	Sn7^vii—Sn8—Tm3	56.26 (2)
Ni11—Tm3—Sn7^vii	87.78 (3)	Sn7^vi—Sn8—Tm3	56.26 (2)
Ni11ⁱ—Tm3—Sn7^vii	170.17 (4)	Ni10—Sn9—Sn9ⁱⁱ	116.16 (5)
Sn7^vi—Tm3—Sn7^vii	90.37 (3)	Ni10—Sn9—Sn9^xiv	116.16 (5)
Ni11—Tm3—Sn6	49.56 (3)	Sn9ⁱⁱ—Sn9—Sn9^xiv	94.30 (5)
Ni11ⁱ—Tm3—Sn6	111.10 (4)	Ni10—Sn9—Tm1ⁱⁱ	168.76 (6)
Sn7^vi—Tm3—Sn6	139.03 (3)	Sn9ⁱⁱ—Sn9—Tm1ⁱⁱ	70.64 (3)
Sn7^vii—Tm3—Sn6	76.34 (2)	Sn9^xiv—Sn9—Tm1ⁱⁱ	70.64 (3)
Ni11—Tm3—Sn6ⁱ	111.10 (4)	Ni10—Sn9—Sn7^xi	50.37 (3)
Ni11ⁱ—Tm3—Sn6ⁱ	49.56 (3)	Sn9ⁱⁱ—Sn9—Sn7^xi	165.45 (5)
Sn7^vi—Tm3—Sn6ⁱ	76.34 (2)	Sn9^xiv—Sn9—Sn7^xi	88.68 (2)
Sn7^vii—Tm3—Sn6ⁱ	139.03 (3)	Tm1ⁱⁱ—Sn9—Sn7^xi	123.61 (3)
Sn6—Tm3—Sn6ⁱ	88.65 (3)	Ni10—Sn9—Sn7	50.37 (3)
Ni11—Tm3—Sn4^v	47.77 (3)	Sn9ⁱⁱ—Sn9—Sn7	88.68 (2)
Ni11ⁱ—Tm3—Sn4^v	47.77 (3)	Sn9^xiv—Sn9—Sn7	165.45 (5)
Sn7^vi—Tm3—Sn4^v	128.566 (19)	Tm1ⁱⁱ—Sn9—Sn7	123.61 (3)
Sn7^vii—Tm3—Sn4^v	128.566 (19)	Sn7^xi—Sn9—Sn7	85.04 (3)
Sn6—Tm3—Sn4^v	87.74 (2)	Ni10—Sn9—Tm3ⁱⁱⁱ	68.89 (5)
Sn6ⁱ—Tm3—Sn4^v	87.74 (2)	Sn9ⁱⁱ—Sn9—Tm3ⁱⁱⁱ	129.93 (3)
Ni11—Tm3—Sn8	126.12 (3)	Sn9^xiv—Sn9—Tm3ⁱⁱⁱ	129.93 (3)
Ni11ⁱ—Tm3—Sn8	126.12 (3)	Tm1ⁱⁱ—Sn9—Tm3ⁱⁱⁱ	99.87 (3)
Sn7^vi—Tm3—Sn8	60.46 (2)	Sn7^xi—Sn9—Tm3ⁱⁱⁱ	54.95 (2)
Sn7^vii—Tm3—Sn8	60.46 (2)	Sn7—Sn9—Tm3ⁱⁱⁱ	54.95 (2)
Sn6—Tm3—Sn8	79.58 (2)	Ni10—Sn9—Tm1	60.61 (3)
Sn6ⁱ—Tm3—Sn8	79.58 (2)	Sn9ⁱⁱ—Sn9—Tm1	56.25 (3)
Sn4^v—Tm3—Sn8	162.20 (3)	Sn9^xiv—Sn9—Tm1	110.83 (5)
Ni11—Tm3—Sn5^viii	47.97 (4)	Tm1ⁱⁱ—Sn9—Tm1	126.90 (2)
Ni11ⁱ—Tm3—Sn5^viii	105.23 (3)	Sn7^xi—Sn9—Tm1	109.43 (3)
Sn7^vi—Tm3—Sn5^viii	122.60 (3)	Sn7—Sn9—Tm1	59.51 (2)
Sn7^vii—Tm3—Sn5^viii	67.83 (2)	Tm3ⁱⁱⁱ—Sn9—Tm1	113.14 (2)
Sn6—Tm3—Sn5^viii	88.266 (18)	Ni10—Sn9—Tm1^xi	60.61 (3)
Sn6ⁱ—Tm3—Sn5^viii	150.70 (3)	Sn9ⁱⁱ—Sn9—Tm1^xi	110.83 (5)
Sn4^v—Tm3—Sn5^viii	63.03 (2)	Sn9^xiv—Sn9—Tm1^xi	56.25 (3)
Sn8—Tm3—Sn5^viii	128.29 (2)	Tm1ⁱⁱ—Sn9—Tm1^xi	126.90 (2)
Ni11—Tm3—Sn5^ix	105.23 (3)	Sn7^xi—Sn9—Tm1^xi	59.51 (2)
Ni11ⁱ—Tm3—Sn5^ix	47.97 (4)	Sn7—Sn9—Tm1^xi	109.43 (3)
Sn7^vi—Tm3—Sn5^ix	67.83 (2)	Tm3ⁱⁱⁱ—Sn9—Tm1^xi	113.14 (2)
Sn7^vii—Tm3—Sn5^ix	122.60 (3)	Tm1—Sn9—Tm1^xi	76.84 (2)
Sn6—Tm3—Sn5^ix	150.70 (3)	Sn9—Ni10—Sn7^xi	79.56 (5)
Sn6ⁱ—Tm3—Sn5^ix	88.266 (18)	Sn9—Ni10—Sn7	79.56 (5)
Sn4^v—Tm3—Sn5^ix	63.03 (2)	Sn7^xi—Ni10—Sn7	119.29 (8)
Sn8—Tm3—Sn5^ix	128.29 (2)	Sn9—Ni10—Sn6	124.03 (8)
Sn5^viii—Tm3—Sn5^ix	80.44 (2)	Sn7^xi—Ni10—Sn6	119.49 (4)
Ni11—Tm3—Sn9^vii	111.84 (4)	Sn7—Ni10—Sn6	119.49 (4)
Ni11ⁱ—Tm3—Sn9^vii	111.84 (4)	Sn9—Ni10—Sn8ⁱⁱⁱ	132.26 (8)
Sn7^vi—Tm3—Sn9^vii	59.24 (2)	Sn7^xi—Ni10—Sn8ⁱⁱⁱ	76.87 (5)
Sn7^vii—Tm3—Sn9^vii	59.24 (2)	Sn7—Ni10—Sn8ⁱⁱⁱ	76.87 (5)
Sn6—Tm3—Sn9^vii	133.565 (16)	Sn6—Ni10—Sn8ⁱⁱⁱ	103.71 (7)
Sn6ⁱ—Tm3—Sn9^vii	133.565 (16)	Sn9—Ni10—Tm1	75.45 (4)
Sn4^v—Tm3—Sn9^vii	108.72 (3)	Sn7^xi—Ni10—Tm1	150.48 (7)
Sn8—Tm3—Sn9^vii	89.08 (3)	Sn7—Ni10—Tm1	71.26 (3)
Sn5^viii—Tm3—Sn9^vii	64.13 (2)	Sn6—Ni10—Tm1	65.06 (4)
Sn5^ix—Tm3—Sn9^vii	64.13 (2)	Sn8ⁱⁱⁱ—Ni10—Tm1	132.15 (3)
Ni11—Tm3—Ni10^vii	132.07 (3)	Sn9—Ni10—Tm1^xi	75.45 (4)
Ni11ⁱ—Tm3—Ni10^vii	132.07 (3)	Sn7^xi—Ni10—Tm1^xi	71.26 (3)
Sn7^vi—Tm3—Ni10^vii	45.186 (14)	Sn7—Ni10—Tm1^xi	150.48 (7)
Sn7^vii—Tm3—Ni10^vii	45.186 (14)	Sn6—Ni10—Tm1^xi	65.06 (4)
Sn6—Tm3—Ni10^vii	111.93 (3)	Sn8ⁱⁱⁱ—Ni10—Tm1^xi	132.15 (3)
Sn6ⁱ—Tm3—Ni10^vii	111.93 (3)	Tm1—Ni10—Tm1^xi	87.31 (5)
Sn4^v—Tm3—Ni10^vii	151.69 (4)	Sn9—Ni10—Tm2^xi	137.40 (2)
Sn8—Tm3—Ni10^vii	46.11 (3)	Sn7^xi—Ni10—Tm2^xi	65.00 (3)
Sn5^viii—Tm3—Ni10^vii	96.20 (3)	Sn7—Ni10—Tm2^xi	137.87 (7)
Sn5^ix—Tm3—Ni10^vii	96.20 (3)	Sn6—Ni10—Tm2^xi	62.75 (4)
Sn9^vii—Tm3—Ni10^vii	42.97 (3)	Sn8ⁱⁱⁱ—Ni10—Tm2^xi	62.99 (4)
Ni11^x—Sn4—Ni11^v	120.64 (7)	Tm1—Ni10—Tm2^xi	127.82 (6)
Ni11^x—Sn4—Ni11	103.86 (4)	Tm1^xi—Ni10—Tm2^xi	71.45 (2)
Ni11^v—Sn4—Ni11	103.86 (4)	Sn9—Ni10—Tm2	137.40 (2)
Ni11^x—Sn4—Sn8ⁱⁱⁱ	109.77 (4)	Sn7^xi—Ni10—Tm2	137.87 (7)
Ni11^v—Sn4—Sn8ⁱⁱⁱ	109.77 (4)	Sn7—Ni10—Tm2	65.00 (3)
Ni11—Sn4—Sn8ⁱⁱⁱ	107.99 (5)	Sn6—Ni10—Tm2	62.75 (4)
Ni11^x—Sn4—Tm2	164.54 (4)	Sn8ⁱⁱⁱ—Ni10—Tm2	62.99 (4)
Ni11^v—Sn4—Tm2	74.78 (3)	Tm1—Ni10—Tm2	71.45 (2)
Ni11—Sn4—Tm2	69.01 (3)	Tm1^xi—Ni10—Tm2	127.82 (6)
Sn8ⁱⁱⁱ—Sn4—Tm2	61.91 (2)	Tm2^xi—Ni10—Tm2	84.84 (4)
Ni11^x—Sn4—Tm2^xi	74.78 (3)	Sn9—Ni10—Tm3ⁱⁱⁱ	68.13 (5)
Ni11^v—Sn4—Tm2^xi	164.54 (4)	Sn7^xi—Ni10—Tm3ⁱⁱⁱ	59.65 (4)
Ni11—Sn4—Tm2^xi	69.01 (3)	Sn7—Ni10—Tm3ⁱⁱⁱ	59.65 (4)
Sn8ⁱⁱⁱ—Sn4—Tm2^xi	61.91 (2)	Sn6—Ni10—Tm3ⁱⁱⁱ	167.84 (7)
Tm2—Sn4—Tm2^xi	89.78 (3)	Sn8ⁱⁱⁱ—Ni10—Tm3ⁱⁱⁱ	64.13 (4)
Ni11^x—Sn4—Tm2^v	70.41 (4)	Tm1—Ni10—Tm3ⁱⁱⁱ	122.41 (4)
Ni11^v—Sn4—Tm2^v	70.41 (4)	Tm1^xi—Ni10—Tm3ⁱⁱⁱ	122.41 (4)
Ni11—Sn4—Tm2^v	71.55 (4)	Tm2^xi—Ni10—Tm3ⁱⁱⁱ	109.00 (4)
Sn8ⁱⁱⁱ—Sn4—Tm2^v	179.53 (4)	Tm2—Ni10—Tm3ⁱⁱⁱ	109.00 (4)
Tm2—Sn4—Tm2^v	117.81 (2)	Sn4^x—Ni11—Sn4^v	120.64 (7)
Tm2^xi—Sn4—Tm2^v	117.81 (2)	Sn4^x—Ni11—Sn6	117.99 (4)
Ni11^x—Sn4—Tm3^v	63.03 (4)	Sn4^v—Ni11—Sn6	117.99 (4)
Ni11^v—Sn4—Tm3^v	63.03 (4)	Sn4^x—Ni11—Sn5^viii	83.76 (5)
Ni11—Sn4—Tm3^v	142.59 (5)	Sn4^v—Ni11—Sn5^viii	83.76 (5)
Sn8ⁱⁱⁱ—Sn4—Tm3^v	109.43 (3)	Sn6—Ni11—Sn5^viii	121.24 (7)
Tm2—Sn4—Tm3^v	130.985 (18)	Sn4^x—Ni11—Sn4	76.14 (4)
Tm2^xi—Sn4—Tm3^v	130.985 (18)	Sn4^v—Ni11—Sn4	76.14 (4)
Tm2^v—Sn4—Tm3^v	71.04 (2)	Sn6—Ni11—Sn4	100.37 (6)
Ni11^x—Sn4—Sn4^v	126.78 (6)	Sn5^viii—Ni11—Sn4	138.39 (7)
Ni11^v—Sn4—Sn4^v	54.61 (4)	Sn4^x—Ni11—Tm3	154.05 (7)
Ni11—Sn4—Sn4^v	49.25 (3)	Sn4^v—Ni11—Tm3	69.20 (2)
Sn8ⁱⁱⁱ—Sn4—Sn4^v	121.54 (3)	Sn6—Ni11—Tm3	67.24 (4)
Tm2—Sn4—Sn4^v	59.64 (2)	Sn5^viii—Ni11—Tm3	73.14 (4)
Tm2^xi—Sn4—Sn4^v	116.83 (4)	Sn4—Ni11—Tm3	129.35 (3)
Tm2^v—Sn4—Sn4^v	58.17 (3)	Sn4^x—Ni11—Tm3^xi	69.20 (2)
Tm3^v—Sn4—Sn4^v	108.24 (3)	Sn4^v—Ni11—Tm3^xi	154.05 (7)
Ni11^x—Sn4—Sn4^x	54.61 (4)	Sn6—Ni11—Tm3^xi	67.24 (4)
Ni11^v—Sn4—Sn4^x	126.78 (6)	Sn5^viii—Ni11—Tm3^xi	73.14 (4)
Ni11—Sn4—Sn4^x	49.25 (3)	Sn4—Ni11—Tm3^xi	129.35 (3)
Sn8ⁱⁱⁱ—Sn4—Sn4^x	121.54 (3)	Tm3—Ni11—Tm3^xi	92.41 (5)
Tm2—Sn4—Sn4^x	116.83 (4)	Sn4^x—Ni11—Tm2	135.01 (7)
Tm2^xi—Sn4—Sn4^x	59.64 (2)	Sn4^v—Ni11—Tm2	63.75 (3)
Tm2^v—Sn4—Sn4^x	58.17 (3)	Sn6—Ni11—Tm2	61.53 (3)
Tm3^v—Sn4—Sn4^x	108.24 (3)	Sn5^viii—Ni11—Tm2	137.92 (2)
Sn4^v—Sn4—Sn4^x	85.36 (4)	Sn4—Ni11—Tm2	61.07 (3)
Ni12—Sn5—Ni11^xii	118.18 (7)	Tm3—Ni11—Tm2	70.75 (2)
Ni12—Sn5—Tm3^xii	137.69 (2)	Tm3^xi—Ni11—Tm2	128.71 (6)
Ni11^xii—Sn5—Tm3^xii	58.89 (3)	Sn4^x—Ni11—Tm2^xi	63.75 (3)
Ni12—Sn5—Tm3^xiii	137.69 (2)	Sn4^v—Ni11—Tm2^xi	135.01 (7)
Ni11^xii—Sn5—Tm3^xiii	58.89 (3)	Sn6—Ni11—Tm2^xi	61.53 (3)
Tm3^xii—Sn5—Tm3^xiii	80.44 (2)	Sn5^viii—Ni11—Tm2^xi	137.92 (2)
Ni12—Sn5—Tm1^xi	59.57 (4)	Sn4—Ni11—Tm2^xi	61.07 (3)
Ni11^xii—Sn5—Tm1^xi	138.857 (19)	Tm3—Ni11—Tm2^xi	128.71 (6)
Tm3^xii—Sn5—Tm1^xi	153.58 (3)	Tm3^xi—Ni11—Tm2^xi	70.75 (2)
Tm3^xiii—Sn5—Tm1^xi	94.310 (14)	Tm2—Ni11—Tm2^xi	82.84 (4)
Ni12—Sn5—Tm1	59.57 (4)	Sn4^x—Ni11—Tm2^v	60.33 (4)
Ni11^xii—Sn5—Tm1	138.857 (19)	Sn4^v—Ni11—Tm2^v	60.33 (4)
Tm3^xii—Sn5—Tm1	94.310 (14)	Sn6—Ni11—Tm2^v	160.53 (7)
Tm3^xiii—Sn5—Tm1	153.58 (3)	Sn5^viii—Ni11—Tm2^v	78.23 (5)
Tm1^xi—Sn5—Tm1	78.88 (2)	Sn4—Ni11—Tm2^v	60.16 (4)
Ni12—Sn6—Ni10	111.40 (7)	Tm3—Ni11—Tm2^v	123.78 (4)
Ni12—Sn6—Ni11	126.13 (7)	Tm3^xi—Ni11—Tm2^v	123.78 (4)
Ni10—Sn6—Ni11	122.47 (7)	Tm2—Ni11—Tm2^v	104.85 (4)
Ni12—Sn6—Tm2^xi	134.083 (17)	Tm2^xi—Ni11—Tm2^v	104.85 (4)
Ni10—Sn6—Tm2^xi	69.57 (3)	Sn8—Ni12—Sn8^xi	126.20 (9)
Ni11—Sn6—Tm2^xi	70.88 (3)	Sn8—Ni12—Sn6	113.33 (5)
Ni12—Sn6—Tm2	134.083 (17)	Sn8^xi—Ni12—Sn6	113.33 (5)
Ni10—Sn6—Tm2	69.57 (3)	Sn8—Ni12—Sn5	87.74 (6)
Ni11—Sn6—Tm2	70.88 (3)	Sn8^xi—Ni12—Sn5	87.74 (6)
Tm2^xi—Sn6—Tm2	90.64 (3)	Sn6—Ni12—Sn5	123.90 (9)
Ni12—Sn6—Tm1	65.63 (4)	Sn8—Ni12—Sn7^vii	75.93 (5)
Ni10—Sn6—Tm1	66.95 (3)	Sn8^xi—Ni12—Sn7^vii	75.93 (5)
Ni11—Sn6—Tm1	135.524 (14)	Sn6—Ni12—Sn7^vii	93.61 (7)
Tm2^xi—Sn6—Tm1	136.53 (3)	Sn5—Ni12—Sn7^vii	142.49 (8)
Tm2—Sn6—Tm1	74.304 (16)	Sn8—Ni12—Tm1^xi	156.15 (8)
Ni12—Sn6—Tm1^xi	65.63 (4)	Sn8^xi—Ni12—Tm1^xi	69.53 (3)
Ni10—Sn6—Tm1^xi	66.95 (3)	Sn6—Ni12—Tm1^xi	67.18 (4)
Ni11—Sn6—Tm1^xi	135.524 (14)	Sn5—Ni12—Tm1^xi	74.18 (5)
Tm2^xi—Sn6—Tm1^xi	74.304 (16)	Sn7^vii—Ni12—Tm1^xi	127.76 (4)
Tm2—Sn6—Tm1^xi	136.53 (3)	Sn8—Ni12—Tm1	69.53 (3)
Tm1—Sn6—Tm1^xi	88.94 (3)	Sn8^xi—Ni12—Tm1	156.15 (8)
Ni12—Sn6—Tm3^xi	79.46 (4)	Sn6—Ni12—Tm1	67.18 (4)
Ni10—Sn6—Tm3^xi	135.290 (16)	Sn5—Ni12—Tm1	74.18 (5)
Ni11—Sn6—Tm3^xi	63.20 (3)	Sn7^vii—Ni12—Tm1	127.76 (4)
Tm2^xi—Sn6—Tm3^xi	72.611 (17)	Tm1^xi—Ni12—Tm1	90.29 (6)
Tm2—Sn6—Tm3^xi	134.01 (3)	Sn8—Ni12—Tm2^vii	63.18 (5)
Tm1—Sn6—Tm3^xi	144.75 (4)	Sn8^xi—Ni12—Tm2^vii	63.18 (5)
Tm1^xi—Sn6—Tm3^xi	80.659 (16)	Sn6—Ni12—Tm2^vii	155.17 (8)
Ni12—Sn6—Tm3	79.46 (4)	Sn5—Ni12—Tm2^vii	80.93 (6)
Ni10—Sn6—Tm3	135.290 (16)	Sn7^vii—Ni12—Tm2^vii	61.56 (4)
Ni11—Sn6—Tm3	63.20 (3)	Tm1^xi—Ni12—Tm2^vii	126.83 (4)
Tm2^xi—Sn6—Tm3	134.01 (3)	Tm1—Ni12—Tm2^vii	126.83 (4)

Symmetry codes: (i) x, y+1, z; (ii) −x+1, −y, −z; (iii) −x+1/2, −y, z−1/2; (iv) −x+1/2, −y+1, z−1/2; (v) −x, −y, −z; (vi) −x+1/2, −y+1, z+1/2; (vii) −x+1/2, −y, z+1/2; (viii) x−1/2, y, −z+1/2; (ix) x−1/2, y+1, −z+1/2; (x) −x, −y−1, −z; (xi) x, y−1, z; (xii) x+1/2, y, −z+1/2; (xiii) x+1/2, y−1, −z+1/2; (xiv) −x+1, −y−1, −z.

Experimental details

Crystal data
Chemical formula	TmNi_0.965Li_0.035Sn₂
M_r	463.23
Crystal system, space group	Orthorhombic, Pnma
Temperature (K)	293
a, b, c (Å)	16.0285 (11), 4.3862 (4), 14.3684 (10)
V (Å³)	1010.16 (14)
Z	12
Radiation type	Mo Kα
µ (mm⁻¹)	45.77
Crystal size (mm)	0.07 × 0.03 × 0.02

Data collection
Diffractometer	Oxford Diffraction Xcalibur3 CCD diffractometer
Absorption correction	Analytical (CrysAlis RED; Oxford Diffraction, 2008)
T_min, T_max	0.213, 0.403
No. of measured, independent and observed [I > 2σ(I)] reflections	6737, 1304, 1096
R_int	0.034
(sin θ/λ)_max (Å⁻¹)	0.649

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.026, 0.060, 1.18
No. of reflections	1304
No. of parameters	76
	w = 1/[σ²(F_o²) + (0.023P)² + 11.3465P] where P = (F_o² + 2F_c²)/3
Δρ_max, Δρ_min (e Å⁻³)	2.07, −2.13

Computer programs: CrysAlis CCD (Oxford Diffraction, 2008), CrysAlis RED (Oxford Diffraction, 2008), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg, 2006).

Acknowledgements

Financial support from the Ministry of Education and Science of Ukraine is gratefully acknowledged.

References

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