The new ternary compound Ce2Rh15Si7

Tursina, A.I.; Gribanov, A.V.; Seropegin, Y.D.

doi:10.1107/S1600536801008431

The new ternary compound Ce₂Rh₁₅Si₇

A. I. Tursina, A. V. Gribanov and Y. D. Seropegin

The title compound, dicerium pentadecarhodium heptasilicon, includes two crystallographically independent Ce atoms, Ce1 having an ideal cubooctahedron polyhedron and Ce2 having a distorted polyhedron with 14 apices and an anomalously short Ce-Rh distance of 2.432 (3) Å.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536801008431/bt6041sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536801008431/bt6041Isup2.hkl Contains datablock I

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (Si-Si) = 0.014 Å
R factor = 0.047
wR factor = 0.148
Data-to-parameter ratio = 16.3

checkCIF results

No syntax errors found



ADDSYM reports no extra symmetry

PLATON alerts of the form PLAT_7?? have been detected for an inorganic
structure. These tests are under development  for inorganics and
comments are welcomed. It is not necessary to supply a data
validation response form for these alerts at this time.


 Alert Level A:



ABSTM_02  Alert A Crystal and compound unsuitable for non-numerical
          corrections. Product of mu and tmid > 3.0
           Value of mu given =    24.566 tmid =     0.150


 Alert Level B:



PLAT_030  Alert B Refined Extinction parameter within range ....       1.50 Sigma

PLAT_731  Alert B Bond    Calc    2.329(5), Rep  2.3287(10) ....       5.00 s.u-Ratio
                     RH5  -SI7     1.555  27.555

PLAT_731  Alert B Bond    Calc    2.329(5), Rep  2.3287(10) ....       5.00 s.u-Ratio
                     RH5  -SI7     1.555   1.555

PLAT_731  Alert B Bond    Calc    2.329(5), Rep  2.3287(10) ....       5.00 s.u-Ratio
                     SI7  -RH5     1.555   9.555

PLAT_731  Alert B Bond    Calc    2.329(5), Rep  2.3287(10) ....       5.00 s.u-Ratio
                     SI7  -RH5     1.555  13.555

PLAT_732  Alert B Angle   Calc    143.0(2), Rep   142.96(3) ....       6.67 s.u-Ratio
                     RH4  -SI7  -RH3     1.555   1.555   1.555


 Alert Level C:



RINTA_01  Alert C The value of Rint is greater than 0.10
          Rint given   0.131

PLAT_731  Alert C Bond    Calc  3.2492(13), Rep   3.2492(6) ....       2.17 s.u-Ratio
                     CE2  -RH5     1.555  10.655

PLAT_731  Alert C Bond    Calc  3.2492(13), Rep   3.2492(6) ....       2.17 s.u-Ratio
                     CE2  -RH5     1.555  26.655

PLAT_731  Alert C Bond    Calc  3.2492(13), Rep   3.2492(6) ....       2.17 s.u-Ratio
                     CE2  -RH5     1.555  34.555

PLAT_731  Alert C Bond    Calc  3.2492(13), Rep   3.2492(6) ....       2.17 s.u-Ratio
                     CE2  -RH5     1.555   2.555

PLAT_731  Alert C Bond    Calc  3.2492(13), Rep   3.2492(6) ....       2.17 s.u-Ratio
                     CE2  -RH5     1.555   1.555

PLAT_731  Alert C Bond    Calc  3.2492(13), Rep   3.2492(6) ....       2.17 s.u-Ratio
                     CE2  -RH5     1.555  33.655

PLAT_731  Alert C Bond    Calc  3.2492(13), Rep   3.2492(6) ....       2.17 s.u-Ratio
                     CE2  -RH5     1.555  25.655

PLAT_731  Alert C Bond    Calc  3.2492(13), Rep   3.2492(6) ....       2.17 s.u-Ratio
                     CE2  -RH5     1.555   9.555

PLAT_732  Alert C Angle   Calc   48.34(11), Rep    48.34(5) ....       2.20 s.u-Ratio
                     SI7  -RH3  -RH5     1.555   1.555   1.555

PLAT_732  Alert C Angle   Calc   93.90(13), Rep    93.90(6) ....       2.17 s.u-Ratio
                     SI6  -RH4  -SI7     1.555   1.555   1.555


 1 Alert Level A = Potentially serious problem

 6 Alert Level B = Potential problem

 11 Alert Level C = Please check

Comment top

Intermetallic compounds consisting of Ce, Rh(Pd) and Si exibit many interesting physical properties, for example, magnetism, superconductivity, heavy-electron behavior and valence fluctuations (Buschow, 1993; Trovarelli et al., 1998; Gomez-Berisso et al., 1999). For this reason, we have been investigating ternary Ce–Rh–Si systems looking for new intermetallic compounds (Gribanov et al., 2000a,b; Tursina et al., 2001). Herein, we report the crystal structure of the new ternary compound, Ce₂Rh₁₅Si₇, (I).

The coordination polyhedra of the Ce atoms are cubooctahedron Ce1 [Rh₁₂] and distorted polyhedron with 14 Ce2 [Rh₁₄] apexes. Coordination polyhedra of the Rh atoms are rather irregular polyhedra with 9 and 10 apexes: Rh3 [Ce₁Rh₄Si₄], Rh4 [Ce₂Rh₄Si₄] and Rh5 [Rh₆Si₄]. The Si atoms have slightly destorted polyhedra with 10 and 9 apexes: double-capped square antiprisms Si6 [Ce₁Rh₈Si₁] and trigonal prisms with three additional atoms Si7 [Rh₉]. All interatomic distances in (I) are typical for such compounds except two Ce2—Rh3 distances [2.432 (3) Å] which are significantly shorter than the sum of the metallic radii d(Ce—Rh) = 3.18 Å. This peculiarity of (I) makes the probability of the existence of isostructural compounds very low as any change in the composition must cause the changes in the crystal structure providing more appropriate Ce—Rh interatomic distances. This can be demonstrated through the comparison of the two crystal structures, (I) and the Ce₄Pd₂₉Si₁₄, (II), crystal structure (Tursina et al., 2001), which may be considered as a derivative from the crystal structure of (I).

The Pd substitution for Rh causes negligible changes in the mutual positions of all atoms in the structure of (II) except two Pd atoms (Pd4 and Pd5), corresponding to the Rh3 atoms in structure (I). They change their positions considerably. However, the Pd4 atoms simply move aside of Ce2 atoms, d(Ce2—Pd4) = 2.903 (4) Å, while the Pd5 atoms pass into a new crystallographic position, d(Ce2—Pd5) = 3.339 (2) Å. These atoms shifts in structure (II) causes, firstly, the change of crystal structure [space group Fm3m, a = 18.010 (2) Å], secondly, the decrease in Pd percentage and in number of atoms per unit-cell volume. That is, the D_x falls from 9.787 Mg m^-3 in (I) to 9.186 Mg m^-3 in (II).

Experimental top

The title compound was prepared from pure elements (Ce 0.98, Rh 0.999, Si 0.99999) by arc-melting under an argon atmosphere. The sample was annealed in double quartz ampoules at 973 K for 600 h and quenched in cool water. The single-crystal used for analysis was selected from the alloy obtained.

Computing details top

Data collection: CAD-4 Software (Enraf-Nonius, 1989); cell refinement: CAD-4 Software; data reduction: CAD-4 Software; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997).

Figures top

	Fig. 1. The asymmetric unit of the title compound with the atom numbering.
	Fig. 2. Projection onto XY plane (a) of Ce₂Rh₁₅Si₇ unit cell and (b) of Ce₄Pd₂₉Si₁₄ 1/8 unit cell (X,Y,Z from 0 to 1/2).

(I) top

Crystal data top

Ce₂Rh₁₅Si₇	Mo Kα radiation, λ = 0.71073 Å
M_r = 2020.52	Cell parameters from 25 reflections
Cubic, Pm3m	θ = 13.1–17.7°
a = 8.818 (1) Å	µ = 24.57 mm⁻¹
V = 685.66 (13) Å³	T = 293 K
Z = 2	Prism, dark red
F(000) = 1778	0.17 × 0.15 × 0.13 mm
D_x = 9.787 Mg m⁻³

Data collection top

Enraf-Nonius CAD-4 diffractometer	251 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	R_int = 0.131
Graphite monochromator	θ_max = 34.9°, θ_min = 2.3°
ω scans	h = 0→14
Absorption correction: multi-scan (Blessing, 1995)	k = 0→14
T_min = 0.034, T_max = 0.098	l = 0→14
1756 measured reflections	3 standard reflections every 120 min
358 independent reflections	intensity decay: 2.5%

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)] = 0.047	w = 1/[σ²(F_o²) + (0.1P)²] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.148	(Δ/σ)_max < 0.001
S = 0.86	Δρ_max = 4.22 e Å⁻³
358 reflections	Δρ_min = −4.12 e Å⁻³
22 parameters	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.0003 (2)

Crystal data top

Ce₂Rh₁₅Si₇	Z = 2
M_r = 2020.52	Mo Kα radiation
Cubic, Pm3m	µ = 24.57 mm⁻¹
a = 8.818 (1) Å	T = 293 K
V = 685.66 (13) Å³	0.17 × 0.15 × 0.13 mm

Data collection top

Enraf-Nonius CAD-4 diffractometer	251 reflections with I > 2σ(I)
Absorption correction: multi-scan (Blessing, 1995)	R_int = 0.131
T_min = 0.034, T_max = 0.098	3 standard reflections every 120 min
1756 measured reflections	intensity decay: 2.5%
358 independent reflections

Refinement top

R[F² > 2σ(F²)] = 0.047	22 parameters
wR(F²) = 0.148	0 restraints
S = 0.86	Δρ_max = 4.22 e Å⁻³
358 reflections	Δρ_min = −4.12 e Å⁻³

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
Ce1	0.5000	0.5000	0.5000	0.0135 (8)
Ce2	0.5000	0.0000	0.0000	0.0154 (6)
Rh3	0.2241 (3)	0.0000	0.0000	0.0137 (5)
Rh4	0.26211 (14)	0.26211 (14)	0.5000	0.0127 (4)
Rh5	0.32339 (14)	0.32339 (14)	0.0000	0.0133 (4)
Si6	0.1345 (11)	0.5000	0.5000	0.0147 (16)
Si7	0.2130 (6)	0.2130 (6)	0.2130 (6)	0.0147 (13)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ce1	0.0135 (8)	0.0135 (8)	0.0135 (8)	0.000	0.000	0.000
Ce2	0.0144 (11)	0.0159 (8)	0.0159 (8)	0.000	0.000	0.000
Rh3	0.0119 (10)	0.0146 (6)	0.0146 (6)	0.000	0.000	0.000
Rh4	0.0129 (5)	0.0129 (5)	0.0123 (7)	0.0014 (5)	0.000	0.000
Rh5	0.0140 (5)	0.0140 (5)	0.0119 (7)	−0.0022 (6)	0.000	0.000
Si6	0.010 (3)	0.017 (2)	0.017 (2)	0.000	0.000	0.000
Si7	0.0147 (13)	0.0147 (13)	0.0147 (13)	0.0019 (16)	0.0019 (16)	0.0019 (16)

Geometric parameters (Å, º) top

Ce1—Rh4ⁱ	2.9666 (18)	Rh4—Si6	2.380 (4)
Ce1—Rh4	2.9666 (18)	Rh4—Si7	2.604 (7)
Ce1—Rh4ⁱⁱ	2.9666 (18)	Rh4—Si7^xxiv	2.604 (7)
Ce1—Rh4ⁱⁱⁱ	2.9666 (18)	Rh4—Rh5^v	2.8389 (9)
Ce1—Rh4^iv	2.9666 (18)	Rh4—Rh5^xxv	2.8389 (9)
Ce1—Rh4^v	2.9666 (18)	Rh4—Rh5^x	2.8389 (9)
Ce1—Rh4^vi	2.9666 (18)	Rh4—Rh5^xxvi	2.8389 (9)
Ce1—Rh4^vii	2.9666 (18)	Rh4—Rh4^vi	2.9666 (18)
Ce1—Rh4^viii	2.9666 (18)	Rh4—Rh4^x	2.9666 (18)
Ce1—Rh4^ix	2.9666 (18)	Rh4—Rh4ⁱⁱ	2.9666 (18)
Ce1—Rh4^x	2.9666 (18)	Rh5—Si7^xix	2.3287 (10)
Ce1—Rh4^xi	2.9666 (18)	Rh5—Si7	2.3287 (10)
Ce2—Rh3^xii	2.433 (3)	Rh5—Si6^v	2.501 (5)
Ce2—Rh3	2.433 (3)	Rh5—Si6^xxvii	2.501 (5)
Ce2—Rh5^xiii	3.2492 (6)	Rh5—Rh4ⁱⁱ	2.8389 (9)
Ce2—Rh5^vii	3.2492 (6)	Rh5—Rh4^v	2.8389 (9)
Ce2—Rh5^xiv	3.2492 (6)	Rh5—Rh4^xxviii	2.8389 (9)
Ce2—Rh5^xv	3.2492 (6)	Rh5—Rh4^xiv	2.8389 (9)
Ce2—Rh5	3.2492 (6)	Rh5—Rh3^xxii	2.9831 (18)
Ce2—Rh5^xvi	3.2492 (6)	Rh5—Rh5^xxix	3.115 (2)
Ce2—Rh5^xii	3.2492 (6)	Rh5—Rh5^vii	3.115 (2)
Ce2—Rh5^v	3.2492 (6)	Si6—Si6^xxx	2.372 (19)
Ce2—Rh4^xvii	3.2687 (18)	Si6—Rh4^x	2.380 (4)
Ce2—Rh4ⁱⁱ	3.2687 (18)	Si6—Rh4^xi	2.380 (4)
Rh3—Si7^xv	2.658 (7)	Si6—Rh4^v	2.380 (4)
Rh3—Si7	2.658 (7)	Si6—Rh5^xxv	2.501 (5)
Rh3—Si7^xviii	2.658 (7)	Si6—Rh5ⁱ	2.501 (5)
Rh3—Si7^xix	2.658 (7)	Si6—Rh5^xxvi	2.501 (5)
Rh3—Rh3^xx	2.794 (4)	Si6—Rh5^ix	2.501 (5)
Rh3—Rh3^xxi	2.794 (4)	Si7—Rh5^v	2.3287 (10)
Rh3—Rh3^xxii	2.794 (4)	Si7—Rh5^xxv	2.3287 (10)
Rh3—Rh3^v	2.794 (4)	Si7—Rh4ⁱⁱ	2.604 (7)
Rh3—Rh5^v	2.9831 (18)	Si7—Rh4^v	2.604 (7)
Rh3—Rh5	2.9831 (18)	Si7—Rh3^v	2.658 (7)
Rh3—Rh5^xv	2.9831 (18)	Si7—Rh3^xxii	2.658 (7)
Rh4—Si6^xxiii	2.380 (4)

Rh4ⁱ—Ce1—Rh4	120.0	Si7—Rh4—Rh5^v	50.44 (6)
Rh4ⁱ—Ce1—Rh4ⁱⁱ	180.0	Si7^xxiv—Rh4—Rh5^v	115.43 (9)
Rh4—Ce1—Rh4ⁱⁱ	60.0	Si6^xxiii—Rh4—Rh5^xxv	143.84 (8)
Rh4ⁱ—Ce1—Rh4ⁱⁱⁱ	60.0	Si6—Rh4—Rh5^xxv	56.46 (15)
Rh4—Ce1—Rh4ⁱⁱⁱ	180.0	Si7—Rh4—Rh5^xxv	50.44 (6)
Rh4ⁱⁱ—Ce1—Rh4ⁱⁱⁱ	120.0	Si7^xxiv—Rh4—Rh5^xxv	115.43 (9)
Rh4ⁱ—Ce1—Rh4^iv	60.0	Rh5^v—Rh4—Rh5^xxv	90.51 (7)
Rh4—Ce1—Rh4^iv	120.0	Si6^xxiii—Rh4—Rh5^x	56.46 (15)
Rh4ⁱⁱ—Ce1—Rh4^iv	120.0	Si6—Rh4—Rh5^x	143.84 (8)
Rh4ⁱⁱⁱ—Ce1—Rh4^iv	60.0	Si7—Rh4—Rh5^x	115.43 (9)
Rh4ⁱ—Ce1—Rh4^v	120.0	Si7^xxiv—Rh4—Rh5^x	50.44 (6)
Rh4—Ce1—Rh4^v	60.0	Rh5^v—Rh4—Rh5^x	66.54 (5)
Rh4ⁱⁱ—Ce1—Rh4^v	60.0	Rh5^xxv—Rh4—Rh5^x	127.65 (7)
Rh4ⁱⁱⁱ—Ce1—Rh4^v	120.0	Si6^xxiii—Rh4—Rh5^xxvi	143.84 (8)
Rh4^iv—Ce1—Rh4^v	180.0	Si6—Rh4—Rh5^xxvi	56.46 (15)
Rh4ⁱ—Ce1—Rh4^vi	90.0	Si7—Rh4—Rh5^xxvi	115.43 (9)
Rh4—Ce1—Rh4^vi	60.0	Si7^xxiv—Rh4—Rh5^xxvi	50.44 (6)
Rh4ⁱⁱ—Ce1—Rh4^vi	90.0	Rh5^v—Rh4—Rh5^xxvi	127.65 (7)
Rh4ⁱⁱⁱ—Ce1—Rh4^vi	120.0	Rh5^xxv—Rh4—Rh5^xxvi	66.54 (5)
Rh4^iv—Ce1—Rh4^vi	60.0	Rh5^x—Rh4—Rh5^xxvi	90.51 (7)
Rh4^v—Ce1—Rh4^vi	120.0	Si6^xxiii—Rh4—Rh4^vi	51.46 (9)
Rh4ⁱ—Ce1—Rh4^vii	120.0	Si6—Rh4—Rh4^vi	109.53 (13)
Rh4—Ce1—Rh4^vii	90.0	Si7—Rh4—Rh4^vi	143.60 (7)
Rh4ⁱⁱ—Ce1—Rh4^vii	60.0	Si7^xxiv—Rh4—Rh4^vi	55.27 (10)
Rh4ⁱⁱⁱ—Ce1—Rh4^vii	90.0	Rh5^v—Rh4—Rh4^vi	104.67 (4)
Rh4^iv—Ce1—Rh4^vii	60.0	Rh5^xxv—Rh4—Rh4^vi	164.49 (3)
Rh4^v—Ce1—Rh4^vii	120.0	Rh5^x—Rh4—Rh4^vi	58.50 (3)
Rh4^vi—Ce1—Rh4^vii	60.0	Rh5^xxvi—Rh4—Rh4^vi	100.82 (2)
Rh4ⁱ—Ce1—Rh4^viii	120.0	Si6^xxiii—Rh4—Ce1	73.2 (2)
Rh4—Ce1—Rh4^viii	120.0	Si6—Rh4—Ce1	73.2 (2)
Rh4ⁱⁱ—Ce1—Rh4^viii	60.0	Si7—Rh4—Ce1	103.60 (13)
Rh4ⁱⁱⁱ—Ce1—Rh4^viii	60.0	Si7^xxiv—Rh4—Ce1	103.60 (13)
Rh4^iv—Ce1—Rh4^viii	90.0	Rh5^v—Rh4—Ce1	116.17 (3)
Rh4^v—Ce1—Rh4^viii	90.0	Rh5^xxv—Rh4—Ce1	116.17 (3)
Rh4^vi—Ce1—Rh4^viii	120.0	Rh5^x—Rh4—Ce1	116.17 (3)
Rh4^vii—Ce1—Rh4^viii	60.0	Rh5^xxvi—Rh4—Ce1	116.17 (3)
Rh4ⁱ—Ce1—Rh4^ix	90.0	Rh4^vi—Rh4—Ce1	60.0
Rh4—Ce1—Rh4^ix	120.0	Si6^xxiii—Rh4—Rh4^x	109.53 (13)
Rh4ⁱⁱ—Ce1—Rh4^ix	90.0	Si6—Rh4—Rh4^x	51.46 (9)
Rh4ⁱⁱⁱ—Ce1—Rh4^ix	60.0	Si7—Rh4—Rh4^x	143.60 (7)
Rh4^iv—Ce1—Rh4^ix	120.0	Si7^xxiv—Rh4—Rh4^x	55.27 (10)
Rh4^v—Ce1—Rh4^ix	60.0	Rh5^v—Rh4—Rh4^x	164.49 (3)
Rh4^vi—Ce1—Rh4^ix	180.0	Rh5^xxv—Rh4—Rh4^x	104.67 (4)
Rh4^vii—Ce1—Rh4^ix	120.0	Rh5^x—Rh4—Rh4^x	100.82 (2)
Rh4^viii—Ce1—Rh4^ix	60.0	Rh5^xxvi—Rh4—Rh4^x	58.50 (3)
Rh4ⁱ—Ce1—Rh4^x	60.0	Rh4^vi—Rh4—Rh4^x	60.0
Rh4—Ce1—Rh4^x	60.0	Ce1—Rh4—Rh4^x	60.0
Rh4ⁱⁱ—Ce1—Rh4^x	120.0	Si6^xxiii—Rh4—Rh4ⁱⁱ	51.46 (9)
Rh4ⁱⁱⁱ—Ce1—Rh4^x	120.0	Si6—Rh4—Rh4ⁱⁱ	109.53 (13)
Rh4^iv—Ce1—Rh4^x	90.0	Si7—Rh4—Rh4ⁱⁱ	55.27 (10)
Rh4^v—Ce1—Rh4^x	90.0	Si7^xxiv—Rh4—Rh4ⁱⁱ	143.60 (7)
Rh4^vi—Ce1—Rh4^x	60.0	Rh5^v—Rh4—Rh4ⁱⁱ	58.50 (3)
Rh4^vii—Ce1—Rh4^x	120.0	Rh5^xxv—Rh4—Rh4ⁱⁱ	100.82 (2)
Rh4^viii—Ce1—Rh4^x	180.0	Rh5^x—Rh4—Rh4ⁱⁱ	104.67 (4)
Rh4^ix—Ce1—Rh4^x	120.0	Rh5^xxvi—Rh4—Rh4ⁱⁱ	164.49 (3)
Rh4ⁱ—Ce1—Rh4^xi	60.0	Rh4^vi—Rh4—Rh4ⁱⁱ	90.0
Rh4—Ce1—Rh4^xi	90.0	Ce1—Rh4—Rh4ⁱⁱ	60.0
Rh4ⁱⁱ—Ce1—Rh4^xi	120.0	Rh4^x—Rh4—Rh4ⁱⁱ	120.0
Rh4ⁱⁱⁱ—Ce1—Rh4^xi	90.0	Si7^xix—Rh5—Si7	107.5 (4)
Rh4^iv—Ce1—Rh4^xi	120.0	Si7^xix—Rh5—Si6^v	154.5 (3)
Rh4^v—Ce1—Rh4^xi	60.0	Si7—Rh5—Si6^v	97.9 (3)
Rh4^vi—Ce1—Rh4^xi	120.0	Si7^xix—Rh5—Si6^xxvii	97.9 (3)
Rh4^vii—Ce1—Rh4^xi	180.0	Si7—Rh5—Si6^xxvii	154.5 (3)
Rh4^viii—Ce1—Rh4^xi	120.0	Si6^v—Rh5—Si6^xxvii	56.6 (4)
Rh4^ix—Ce1—Rh4^xi	60.0	Si7^xix—Rh5—Rh4ⁱⁱ	143.75 (11)
Rh4^x—Ce1—Rh4^xi	60.0	Si7—Rh5—Rh4ⁱⁱ	59.54 (17)
Rh3^xii—Ce2—Rh3	180.0	Si6^v—Rh5—Rh4ⁱⁱ	52.48 (14)
Rh3^xii—Ce2—Rh5^xiii	61.36 (3)	Si6^xxvii—Rh5—Rh4ⁱⁱ	99.38 (17)
Rh3—Ce2—Rh5^xiii	118.64 (3)	Si7^xix—Rh5—Rh4^v	143.75 (11)
Rh3^xii—Ce2—Rh5^vii	61.36 (3)	Si7—Rh5—Rh4^v	59.54 (17)
Rh3—Ce2—Rh5^vii	118.64 (3)	Si6^v—Rh5—Rh4^v	52.48 (15)
Rh5^xiii—Ce2—Rh5^vii	76.72 (2)	Si6^xxvii—Rh5—Rh4^v	99.38 (17)
Rh3^xii—Ce2—Rh5^xiv	118.64 (3)	Rh4ⁱⁱ—Rh5—Rh4^v	63.00 (6)
Rh3—Ce2—Rh5^xiv	61.36 (3)	Si7^xix—Rh5—Rh4^xxviii	59.54 (17)
Rh5^xiii—Ce2—Rh5^xiv	180.00 (6)	Si7—Rh5—Rh4^xxviii	143.75 (11)
Rh5^vii—Ce2—Rh5^xiv	103.28 (2)	Si6^v—Rh5—Rh4^xxviii	99.38 (17)
Rh3^xii—Ce2—Rh5^xv	118.64 (3)	Si6^xxvii—Rh5—Rh4^xxviii	52.48 (14)
Rh3—Ce2—Rh5^xv	61.36 (3)	Rh4ⁱⁱ—Rh5—Rh4^xxviii	109.01 (5)
Rh5^xiii—Ce2—Rh5^xv	103.28 (2)	Rh4^v—Rh5—Rh4^xxviii	150.65 (7)
Rh5^vii—Ce2—Rh5^xv	180.00 (6)	Si7^xix—Rh5—Rh4^xiv	59.54 (17)
Rh5^xiv—Ce2—Rh5^xv	76.72 (2)	Si7—Rh5—Rh4^xiv	143.75 (11)
Rh3^xii—Ce2—Rh5	118.64 (3)	Si6^v—Rh5—Rh4^xiv	99.38 (17)
Rh3—Ce2—Rh5	61.36 (3)	Si6^xxvii—Rh5—Rh4^xiv	52.48 (14)
Rh5^xiii—Ce2—Rh5	103.28 (2)	Rh4ⁱⁱ—Rh5—Rh4^xiv	150.65 (7)
Rh5^vii—Ce2—Rh5	57.28 (6)	Rh4^v—Rh5—Rh4^xiv	109.01 (5)
Rh5^xiv—Ce2—Rh5	76.72 (2)	Rh4^xxviii—Rh5—Rh4^xiv	63.00 (6)
Rh5^xv—Ce2—Rh5	122.72 (6)	Si7^xix—Rh5—Rh3	58.51 (18)
Rh3^xii—Ce2—Rh5^xvi	61.36 (3)	Si7—Rh5—Rh3	58.51 (18)
Rh3—Ce2—Rh5^xvi	118.64 (3)	Si6^v—Rh5—Rh3	141.07 (13)
Rh5^xiii—Ce2—Rh5^xvi	122.72 (6)	Si6^xxvii—Rh5—Rh3	141.07 (13)
Rh5^vii—Ce2—Rh5^xvi	76.72 (2)	Rh4ⁱⁱ—Rh5—Rh3	88.80 (4)
Rh5^xiv—Ce2—Rh5^xvi	57.28 (6)	Rh4^v—Rh5—Rh3	117.94 (4)
Rh5^xv—Ce2—Rh5^xvi	103.28 (2)	Rh4^xxviii—Rh5—Rh3	88.80 (4)
Rh5—Ce2—Rh5^xvi	103.28 (2)	Rh4^xiv—Rh5—Rh3	117.94 (4)
Rh3^xii—Ce2—Rh5^xii	61.36 (3)	Si7^xix—Rh5—Rh3^xxii	58.51 (18)
Rh3—Ce2—Rh5^xii	118.64 (3)	Si7—Rh5—Rh3^xxii	58.51 (18)
Rh5^xiii—Ce2—Rh5^xii	76.72 (2)	Si6^v—Rh5—Rh3^xxii	141.07 (13)
Rh5^vii—Ce2—Rh5^xii	122.72 (6)	Si6^xxvii—Rh5—Rh3^xxii	141.07 (13)
Rh5^xiv—Ce2—Rh5^xii	103.28 (2)	Rh4ⁱⁱ—Rh5—Rh3^xxii	117.94 (4)
Rh5^xv—Ce2—Rh5^xii	57.28 (6)	Rh4^v—Rh5—Rh3^xxii	88.80 (4)
Rh5—Ce2—Rh5^xii	180.00 (4)	Rh4^xxviii—Rh5—Rh3^xxii	117.94 (4)
Rh5^xvi—Ce2—Rh5^xii	76.72 (2)	Rh4^xiv—Rh5—Rh3^xxii	88.80 (4)
Rh3^xii—Ce2—Rh5^v	118.64 (3)	Rh3—Rh5—Rh3^xxii	55.86 (10)
Rh3—Ce2—Rh5^v	61.36 (3)	Si7^xix—Rh5—Rh5^xxix	114.71 (14)
Rh5^xiii—Ce2—Rh5^v	57.28 (6)	Si7—Rh5—Rh5^xxix	114.71 (14)
Rh5^vii—Ce2—Rh5^v	103.28 (2)	Si6^v—Rh5—Rh5^xxix	51.50 (8)
Rh5^xiv—Ce2—Rh5^v	122.72 (6)	Si6^xxvii—Rh5—Rh5^xxix	51.50 (8)
Rh5^xv—Ce2—Rh5^v	76.72 (2)	Rh4ⁱⁱ—Rh5—Rh5^xxix	100.97 (4)
Rh5—Ce2—Rh5^v	76.72 (2)	Rh4^v—Rh5—Rh5^xxix	56.73 (3)
Rh5^xvi—Ce2—Rh5^v	180.0	Rh4^xxviii—Rh5—Rh5^xxix	100.97 (4)
Rh5^xii—Ce2—Rh5^v	103.28 (2)	Rh4^xiv—Rh5—Rh5^xxix	56.73 (3)
Rh3^xii—Ce2—Rh4^xvii	90.0	Rh3—Rh5—Rh5^xxix	162.93 (5)
Rh3—Ce2—Rh4^xvii	90.0	Rh3^xxii—Rh5—Rh5^xxix	107.07 (5)
Rh5^xiii—Ce2—Rh4^xvii	128.359 (12)	Si7^xix—Rh5—Rh5^vii	114.71 (14)
Rh5^vii—Ce2—Rh4^xvii	128.359 (12)	Si7—Rh5—Rh5^vii	114.71 (14)
Rh5^xiv—Ce2—Rh4^xvii	51.641 (12)	Si6^v—Rh5—Rh5^vii	51.50 (8)
Rh5^xv—Ce2—Rh4^xvii	51.641 (12)	Si6^xxvii—Rh5—Rh5^vii	51.50 (8)
Rh5—Ce2—Rh4^xvii	128.359 (12)	Rh4ⁱⁱ—Rh5—Rh5^vii	56.73 (3)
Rh5^xvi—Ce2—Rh4^xvii	51.641 (12)	Rh4^v—Rh5—Rh5^vii	100.97 (4)
Rh5^xii—Ce2—Rh4^xvii	51.641 (12)	Rh4^xxviii—Rh5—Rh5^vii	56.73 (3)
Rh5^v—Ce2—Rh4^xvii	128.359 (12)	Rh4^xiv—Rh5—Rh5^vii	100.97 (4)
Rh3^xii—Ce2—Rh4ⁱⁱ	90.0	Rh3—Rh5—Rh5^vii	107.07 (5)
Rh3—Ce2—Rh4ⁱⁱ	90.0	Rh3^xxii—Rh5—Rh5^vii	162.93 (5)
Rh5^xiii—Ce2—Rh4ⁱⁱ	51.641 (12)	Rh5^xxix—Rh5—Rh5^vii	90.0
Rh5^vii—Ce2—Rh4ⁱⁱ	51.641 (12)	Si6^xxx—Si6—Rh4^x	118.2 (2)
Rh5^xiv—Ce2—Rh4ⁱⁱ	128.359 (12)	Si6^xxx—Si6—Rh4^xi	118.2 (2)
Rh5^xv—Ce2—Rh4ⁱⁱ	128.359 (12)	Rh4^x—Si6—Rh4^xi	77.09 (17)
Rh5—Ce2—Rh4ⁱⁱ	51.641 (12)	Si6^xxx—Si6—Rh4^v	118.2 (2)
Rh5^xvi—Ce2—Rh4ⁱⁱ	128.359 (12)	Rh4^x—Si6—Rh4^v	123.6 (4)
Rh5^xii—Ce2—Rh4ⁱⁱ	128.359 (12)	Rh4^xi—Si6—Rh4^v	77.09 (17)
Rh5^v—Ce2—Rh4ⁱⁱ	51.641 (12)	Si6^xxx—Si6—Rh4	118.2 (2)
Rh4^xvii—Ce2—Rh4ⁱⁱ	180.00 (3)	Rh4^x—Si6—Rh4	77.09 (17)
Ce2—Rh3—Si7^xv	92.11 (13)	Rh4^xi—Si6—Rh4	123.6 (4)
Ce2—Rh3—Si7	92.11 (13)	Rh4^v—Si6—Rh4	77.09 (17)
Si7^xv—Rh3—Si7	175.8 (3)	Si6^xxx—Si6—Rh5^xxv	61.70 (19)
Ce2—Rh3—Si7^xviii	92.11 (13)	Rh4^x—Si6—Rh5^xxv	140.601 (9)
Si7^xv—Rh3—Si7^xviii	89.923 (10)	Rh4^xi—Si6—Rh5^xxv	140.601 (9)
Si7—Rh3—Si7^xviii	89.923 (10)	Rh4^v—Si6—Rh5^xxv	71.06 (3)
Ce2—Rh3—Si7^xix	92.11 (13)	Rh4—Si6—Rh5^xxv	71.06 (3)
Si7^xv—Rh3—Si7^xix	89.923 (10)	Si6^xxx—Si6—Rh5ⁱ	61.70 (19)
Si7—Rh3—Si7^xix	89.923 (10)	Rh4^x—Si6—Rh5ⁱ	71.06 (3)
Si7^xviii—Rh3—Si7^xix	175.8 (3)	Rh4^xi—Si6—Rh5ⁱ	71.06 (3)
Ce2—Rh3—Rh3^xx	135.0	Rh4^v—Si6—Rh5ⁱ	140.601 (9)
Si7^xv—Rh3—Rh3^xx	58.29 (11)	Rh4—Si6—Rh5ⁱ	140.601 (9)
Si7—Rh3—Rh3^xx	118.27 (11)	Rh5^xxv—Si6—Rh5ⁱ	123.4 (4)
Si7^xviii—Rh3—Rh3^xx	58.29 (11)	Si6^xxx—Si6—Rh5^xxvi	61.70 (19)
Si7^xix—Rh3—Rh3^xx	118.27 (11)	Rh4^x—Si6—Rh5^xxvi	71.06 (3)
Ce2—Rh3—Rh3^xxi	135.0	Rh4^xi—Si6—Rh5^xxvi	140.602 (9)
Si7^xv—Rh3—Rh3^xxi	58.29 (11)	Rh4^v—Si6—Rh5^xxvi	140.601 (9)
Si7—Rh3—Rh3^xxi	118.27 (11)	Rh4—Si6—Rh5^xxvi	71.06 (3)
Si7^xviii—Rh3—Rh3^xxi	118.27 (11)	Rh5^xxv—Si6—Rh5^xxvi	77.01 (16)
Si7^xix—Rh3—Rh3^xxi	58.29 (11)	Rh5ⁱ—Si6—Rh5^xxvi	77.01 (16)
Rh3^xx—Rh3—Rh3^xxi	60.0	Si6^xxx—Si6—Rh5^ix	61.70 (19)
Ce2—Rh3—Rh3^xxii	135.0	Rh4^x—Si6—Rh5^ix	140.602 (9)
Si7^xv—Rh3—Rh3^xxii	118.27 (11)	Rh4^xi—Si6—Rh5^ix	71.06 (3)
Si7—Rh3—Rh3^xxii	58.29 (11)	Rh4^v—Si6—Rh5^ix	71.06 (3)
Si7^xviii—Rh3—Rh3^xxii	118.27 (11)	Rh4—Si6—Rh5^ix	140.601 (9)
Si7^xix—Rh3—Rh3^xxii	58.29 (11)	Rh5^xxv—Si6—Rh5^ix	77.01 (16)
Rh3^xx—Rh3—Rh3^xxii	90.0	Rh5ⁱ—Si6—Rh5^ix	77.01 (16)
Rh3^xxi—Rh3—Rh3^xxii	60.0	Rh5^xxvi—Si6—Rh5^ix	123.4 (4)
Ce2—Rh3—Rh3^v	135.0	Si6^xxx—Si6—Ce1	180.0
Si7^xv—Rh3—Rh3^v	118.27 (11)	Rh4^x—Si6—Ce1	61.8 (2)
Si7—Rh3—Rh3^v	58.29 (11)	Rh4^xi—Si6—Ce1	61.8 (2)
Si7^xviii—Rh3—Rh3^v	58.29 (11)	Rh4^v—Si6—Ce1	61.8 (2)
Si7^xix—Rh3—Rh3^v	118.27 (11)	Rh4—Si6—Ce1	61.8 (2)
Rh3^xx—Rh3—Rh3^v	60.0	Rh5^xxv—Si6—Ce1	118.30 (19)
Rh3^xxi—Rh3—Rh3^v	90.0	Rh5ⁱ—Si6—Ce1	118.30 (19)
Rh3^xxii—Rh3—Rh3^v	60.0	Rh5^xxvi—Si6—Ce1	118.30 (19)
Ce2—Rh3—Rh5^v	72.93 (5)	Rh5^ix—Si6—Ce1	118.30 (19)
Si7^xv—Rh3—Rh5^v	133.34 (6)	Rh5^v—Si7—Rh5^xxv	119.971 (12)
Si7—Rh3—Rh5^v	48.34 (5)	Rh5^v—Si7—Rh5	119.971 (12)
Si7^xviii—Rh3—Rh5^v	48.34 (5)	Rh5^xxv—Si7—Rh5	119.971 (12)
Si7^xix—Rh3—Rh5^v	133.34 (6)	Rh5^v—Si7—Rh4ⁱⁱ	70.02 (12)
Rh3^xx—Rh3—Rh5^v	101.98 (4)	Rh5^xxv—Si7—Rh4ⁱⁱ	130.2 (3)
Rh3^xxi—Rh3—Rh5^v	152.07 (5)	Rh5—Si7—Rh4ⁱⁱ	70.02 (12)
Rh3^xxii—Rh3—Rh5^v	101.98 (4)	Rh5^v—Si7—Rh4^v	130.2 (3)
Rh3^v—Rh3—Rh5^v	62.07 (5)	Rh5^xxv—Si7—Rh4^v	70.02 (12)
Ce2—Rh3—Rh5	72.93 (5)	Rh5—Si7—Rh4^v	70.02 (12)
Si7^xv—Rh3—Rh5	133.34 (6)	Rh4ⁱⁱ—Si7—Rh4^v	69.5 (2)
Si7—Rh3—Rh5	48.34 (5)	Rh5^v—Si7—Rh4	70.02 (12)
Si7^xviii—Rh3—Rh5	133.34 (6)	Rh5^xxv—Si7—Rh4	70.02 (12)
Si7^xix—Rh3—Rh5	48.34 (5)	Rh5—Si7—Rh4	130.2 (3)
Rh3^xx—Rh3—Rh5	152.07 (5)	Rh4ⁱⁱ—Si7—Rh4	69.5 (2)
Rh3^xxi—Rh3—Rh5	101.98 (4)	Rh4^v—Si7—Rh4	69.5 (2)
Rh3^xxii—Rh3—Rh5	62.07 (5)	Rh5^v—Si7—Rh3^v	73.15 (13)
Rh3^v—Rh3—Rh5	101.98 (4)	Rh5^xxv—Si7—Rh3^v	73.15 (13)
Rh5^v—Rh3—Rh5	85.06 (3)	Rh5—Si7—Rh3^v	128.3 (3)
Ce2—Rh3—Rh5^xv	72.93 (5)	Rh4ⁱⁱ—Si7—Rh3^v	142.96 (3)
Si7^xv—Rh3—Rh5^xv	48.34 (5)	Rh4^v—Si7—Rh3^v	142.96 (3)
Si7—Rh3—Rh5^xv	133.34 (6)	Rh4—Si7—Rh3^v	101.50 (7)
Si7^xviii—Rh3—Rh5^xv	48.34 (5)	Rh5^v—Si7—Rh3^xxii	128.3 (3)
Si7^xix—Rh3—Rh5^xv	133.34 (6)	Rh5^xxv—Si7—Rh3^xxii	73.15 (13)
Rh3^xx—Rh3—Rh5^xv	62.07 (5)	Rh5—Si7—Rh3^xxii	73.15 (13)
Rh3^xxi—Rh3—Rh5^xv	101.98 (4)	Rh4ⁱⁱ—Si7—Rh3^xxii	142.96 (3)
Rh3^xxii—Rh3—Rh5^xv	152.07 (5)	Rh4^v—Si7—Rh3^xxii	101.50 (7)
Rh3^v—Rh3—Rh5^xv	101.98 (4)	Rh4—Si7—Rh3^xxii	142.96 (3)
Rh5^v—Rh3—Rh5^xv	85.06 (3)	Rh3^v—Si7—Rh3^xxii	63.4 (2)
Rh5—Rh3—Rh5^xv	145.86 (10)	Rh5^v—Si7—Rh3	73.15 (13)
Si6^xxiii—Rh4—Si6	146.4 (4)	Rh5^xxv—Si7—Rh3	128.3 (3)
Si6^xxiii—Rh4—Si7	93.90 (6)	Rh5—Si7—Rh3	73.15 (13)
Si6—Rh4—Si7	93.90 (6)	Rh4ⁱⁱ—Si7—Rh3	101.50 (7)
Si6^xxiii—Rh4—Si7^xxiv	93.90 (6)	Rh4^v—Si7—Rh3	142.96 (3)
Si6—Rh4—Si7^xxiv	93.90 (6)	Rh4—Si7—Rh3	142.96 (3)
Si7—Rh4—Si7^xxiv	152.8 (3)	Rh3^v—Si7—Rh3	63.4 (2)
Si6^xxiii—Rh4—Rh5^v	56.46 (15)	Rh3^xxii—Si7—Rh3	63.4 (2)
Si6—Rh4—Rh5^v	143.84 (8)

Symmetry codes: (i) z, −y+1, −x+1; (ii) −z+1, y, x; (iii) −x+1, −y+1, −z+1; (iv) −y+1, −z+1, −x+1; (v) y, z, x; (vi) −z+1, y, −x+1; (vii) −x+1, y, z; (viii) −y+1, −z+1, x; (ix) z, −y+1, x; (x) y, z, −x+1; (xi) x, −y+1, −z+1; (xii) −x+1, −y, −z; (xiii) −y+1, −z, x; (xiv) y, z, −x; (xv) x, −y, −z; (xvi) −y+1, −z, −x; (xvii) z, −y, −x; (xviii) x, −y, z; (xix) x, y, −z; (xx) y, −x, −z; (xxi) −y, −z, −x; (xxii) −y, x, z; (xxiii) −y+1, x, z; (xxiv) x, y, −z+1; (xxv) −z, y, x; (xxvi) −z, y, −x+1; (xxvii) −y+1, −z+1, −x; (xxviii) −z+1, y, −x; (xxix) x, −y+1, −z; (xxx) −x, −y+1, −z+1.

Experimental details

Crystal data
Chemical formula	Ce₂Rh₁₅Si₇
M_r	2020.52
Crystal system, space group	Cubic, Pm3m
Temperature (K)	293
a (Å)	8.818 (1)
V (Å³)	685.66 (13)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	24.57
Crystal size (mm)	0.17 × 0.15 × 0.13

Data collection
Diffractometer	Enraf-Nonius CAD-4 diffractometer
Absorption correction	Multi-scan (Blessing, 1995)
T_min, T_max	0.034, 0.098
No. of measured, independent and observed [I > 2σ(I)] reflections	1756, 358, 251
R_int	0.131
(sin θ/λ)_max (Å⁻¹)	0.806

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.047, 0.148, 0.86
No. of reflections	358
No. of parameters	22
Δρ_max, Δρ_min (e Å⁻³)	4.22, −4.12

Computer programs: CAD-4 Software (Enraf-Nonius, 1989), CAD-4 Software, SHELXS97 (Sheldrick, 1990), SHELXL97 (Sheldrick, 1997).

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