Ce₅Au_xGe_4-x [x = 0.43 (2)] with the orthorhombic Sm₅Ge₄ structure type

Single crystals of the title compound, penta­cerium gold tetra­germanium, were synthesized from the corresponding elements using a eutectic Au/Ge mixture as solvent. Structure determination of a crystal from that reaction revealed the composition Ce₅Au_xGe_4-x (x = 0.43). The compound is a new ternary derivative of the Sm₅Ge₄ structure type that crystallizes in the space group Pnma of the orthorhombic system. There are six atoms in the asymmetric unit, one Ce in Wyckoff site 4c, two Ce in 8d, two Ge in 4c and one Ge in 8d. Two of the Ge sites are statistically occupied by Ge and Au atoms, with a lack of long-range ordering. The results are consistent with an earlier report on the structure of the fully stoichiometric analog Ce₅Ge₄.

Key indicators

• Single-crystal X-ray study
• T = 120 K
• Mean [sigma](Ce-Ce) = 0.003 Å
• R factor = 0.028
• wR factor = 0.056
• Data-to-parameter ratio = 20.8

checkCIF/PLATON results

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Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.25 Ratio
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT301_ALERT_3_C Main Residue  Disorder .........................       6.00 Perc.

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   6 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: SMART (Bruker, 2002); cell refinement: SMART; data reduction: SAINT (Bruker, 2002); program(s) used to solve structure: SHELXTL (Sheldrick, 2001); program(s) used to refine structure: SHELXTL; molecular graphics: XP in SHELXTL; software used to prepare material for publication: SHELXTL.

Pentacerium gold tetragermanium

Crystal data

Ce5Au0.43Ge3.57	F(000) = 1752
Mr = 1043.82	Dx = 7.173 Mg m^−3
Orthorhombic, Pnma	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2n	Cell parameters from 3569 reflections
a = 7.868 (5) Å	θ = 2.7–26.4°
b = 15.258 (7) Å	µ = 40.31 mm^−1
c = 8.052 (6) Å	T = 120 K
V = 966.6 (11) Å^3	Irregular, grey
Z = 4	0.07 × 0.06 × 0.05 mm

Data collection

Bruker APEX SMART CCD area-detector diffractometer	1021 independent reflections
Radiation source: fine-focus sealed tube	953 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.040
Detector resolution: 8.3 pixels mm^-1	θmax = 26.4°, θmin = 2.7°
ω scans	h = −9→9
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	k = −19→0
Tmin = 0.083, Tmax = 0.139	l = −10→10
3569 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.028	w = 1/[σ^2(Fo^2) + (0.0163P)^2 + 12.3954P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.056	(Δ/σ)max < 0.001
S = 1.10	Δρmax = 1.46 e Å^−3
1021 reflections	Δρmin = −1.77 e Å^−3
49 parameters	Extinction correction: SHELXTL (Sheldrick, 2001), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.00019 (4)

Special details

Experimental. Crystals were selected and cut in Exxon Paratone N oil bath to the desired dimensions. A suitable one was chosen and it was mounted on the top of glass fiber and quickly placed under the cold nitrogen stream (ca 120 K) in a Bruker SMART CCD-based diffractometer. The crystal, despite the small size, diffracted strongly and an exposure time of 5 second per frame was found sufficient. The structure was solved readily using direct methods and refined on F² using the SHELXL package (Sheldrick, 2001). Data collection was performed with four batch runs at φ = 0.00 ° (456 frames), at φ = 90.00 ° (456 frames), at φ = 180.00 ° (230 frames), and at φ = 270.00 (230 frames). Frame width = 0.40 \& in ω. Data were merged, corrected for decay, and treated with multi-scan absorption corrections.

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 (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Ce1	0.29830 (10)	0.2500	0.00310 (9)	0.0104 (2)
Ce2	0.12843 (7)	0.11570 (4)	0.34014 (6)	0.00863 (16)
Ce3	0.98567 (6)	0.09877 (4)	0.81688 (6)	0.00863 (16)
Ge1	0.92333 (12)	0.2500	0.10583 (12)	0.0077 (4)	0.751 (4)
Au1	0.92333 (12)	0.2500	0.10583 (12)	0.0077 (4)	0.249 (4)
Ge2	0.18878 (17)	0.2500	0.63289 (17)	0.0071 (3)
Ge3	0.20994 (11)	0.95676 (6)	0.53502 (11)	0.0103 (3)	0.910 (3)
Au3	0.20994 (11)	0.95676 (6)	0.53502 (11)	0.0103 (3)	0.090 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ce1	0.0144 (4)	0.0078 (4)	0.0091 (4)	0.000	−0.0003 (3)	0.000
Ce2	0.0104 (3)	0.0071 (3)	0.0084 (3)	0.0002 (2)	0.0006 (2)	−0.0013 (2)
Ce3	0.0089 (3)	0.0084 (3)	0.0085 (3)	−0.0001 (2)	−0.0005 (2)	0.0013 (2)
Ge1	0.0093 (5)	0.0067 (6)	0.0070 (6)	0.000	−0.0005 (4)	0.000
Au1	0.0093 (5)	0.0067 (6)	0.0070 (6)	0.000	−0.0005 (4)	0.000
Ge2	0.0090 (7)	0.0053 (7)	0.0072 (7)	0.000	−0.0004 (5)	0.000
Ge3	0.0157 (5)	0.0081 (5)	0.0072 (5)	−0.0026 (3)	0.0008 (4)	0.0005 (3)
Au3	0.0157 (5)	0.0081 (5)	0.0072 (5)	−0.0026 (3)	0.0008 (4)	0.0005 (3)

Geometric parameters (Å, º)

Ce1—Au1^i	3.064 (2)	Ce3—Ge1^xiv	3.3133 (17)
Ce1—Ge1^i	3.064 (2)	Ce3—Au3^xv	3.334 (2)
Ce1—Ge2^ii	3.103 (3)	Ce3—Ge3^xv	3.334 (2)
Ce1—Au3^iii	3.1657 (16)	Ce3—Au3^xvi	3.5999 (17)
Ce1—Ge3^iii	3.1657 (16)	Ce3—Ce2^xvii	3.6211 (15)
Ce1—Au3^iv	3.1658 (16)	Ge1—Ge2^v	2.665 (2)
Ce1—Ge3^iv	3.1658 (16)	Ge1—Ce1^xi	3.064 (2)
Ce1—Ge2^v	3.261 (2)	Ge1—Ce2^vii	3.1259 (15)
Ce1—Au1^vi	3.299 (3)	Ge1—Ce2^v	3.1259 (15)
Ce1—Ge1^vi	3.299 (3)	Ge1—Ce2^xviii	3.2191 (15)
Ce1—Ce2^vii	3.5409 (16)	Ge1—Ce2^xi	3.2191 (15)
Ce1—Ce2^v	3.5410 (16)	Ge1—Ce1^v	3.299 (3)
Ce2—Au3^viii	2.9588 (15)	Ge1—Ce3^xix	3.3132 (17)
Ce2—Ge3^viii	2.9588 (15)	Ge1—Ce3^ii	3.3132 (17)
Ce2—Au3^iii	2.9791 (19)	Ge2—Au1^vi	2.665 (2)
Ce2—Ge3^iii	2.9791 (19)	Ge2—Ge1^vi	2.665 (2)
Ce2—Au3^ix	3.0528 (18)	Ge2—Ce1^xiv	3.103 (3)
Ce2—Ge3^ix	3.0528 (18)	Ge2—Ce2^xx	3.1592 (19)
Ce2—Au1^vi	3.1259 (15)	Ge2—Ce3^xxi	3.1737 (15)
Ce2—Ge1^vi	3.1259 (15)	Ge2—Ce3^i	3.1738 (15)
Ce2—Ge2	3.1592 (19)	Ge2—Ce1^vi	3.261 (2)
Ce2—Ge1^i	3.2191 (15)	Ge2—Ce3^xxii	3.3081 (17)
Ce2—Au1^i	3.2191 (15)	Ge2—Ce3^xxiii	3.3081 (17)
Ce2—Ce1^vi	3.5410 (16)	Ge3—Ce2^xxiv	2.9588 (15)
Ce3—Au3^x	3.0884 (17)	Ge3—Ce2^xxv	2.9791 (19)
Ce3—Ge3^x	3.0884 (17)	Ge3—Ce2^ix	3.0528 (18)
Ce3—Ge2^xi	3.1738 (15)	Ge3—Ce3^xxvi	3.0884 (17)
Ce3—Au3^xii	3.2898 (15)	Ge3—Ce1^xxv	3.1657 (16)
Ce3—Ge3^xii	3.2898 (15)	Ge3—Ce3^xxvii	3.2898 (15)
Ce3—Ge2^xiii	3.3082 (17)	Ge3—Ce3^xv	3.334 (2)
Ce3—Au1^xiv	3.3133 (17)
Au1^i—Ce1—Ge1^i	0.00 (4)	Au3^xii—Ce3—Au1^xiv	96.12 (4)
Au1^i—Ce1—Ge2^ii	89.54 (5)	Ge3^xii—Ce3—Au1^xiv	96.12 (4)
Ge1^i—Ce1—Ge2^ii	89.54 (5)	Ge2^xiii—Ce3—Au1^xiv	47.46 (3)
Au1^i—Ce1—Au3^iii	87.61 (2)	Au3^x—Ce3—Ge1^xiv	84.63 (4)
Ge1^i—Ce1—Au3^iii	87.61 (2)	Ge3^x—Ce3—Ge1^xiv	84.63 (4)
Ge2^ii—Ce1—Au3^iii	94.15 (2)	Ge2^xi—Ce3—Ge1^xiv	84.03 (5)
Au1^i—Ce1—Ge3^iii	87.61 (2)	Au3^xii—Ce3—Ge1^xiv	96.12 (4)
Ge1^i—Ce1—Ge3^iii	87.61 (2)	Ge3^xii—Ce3—Ge1^xiv	96.12 (4)
Ge2^ii—Ce1—Ge3^iii	94.15 (2)	Ge2^xiii—Ce3—Ge1^xiv	47.46 (3)
Au3^iii—Ce1—Ge3^iii	0.00 (4)	Au1^xiv—Ce3—Ge1^xiv	0.00 (4)
Au1^i—Ce1—Au3^iv	87.61 (2)	Au3^x—Ce3—Au3^xv	140.50 (4)
Ge1^i—Ce1—Au3^iv	87.61 (2)	Ge3^x—Ce3—Au3^xv	140.50 (4)
Ge2^ii—Ce1—Au3^iv	94.15 (2)	Ge2^xi—Ce3—Au3^xv	91.17 (5)
Au3^iii—Ce1—Au3^iv	170.40 (4)	Au3^xii—Ce3—Au3^xv	80.58 (4)
Ge3^iii—Ce1—Au3^iv	170.40 (4)	Ge3^xii—Ce3—Au3^xv	80.58 (4)
Au1^i—Ce1—Ge3^iv	87.61 (2)	Ge2^xiii—Ce3—Au3^xv	87.43 (4)
Ge1^i—Ce1—Ge3^iv	87.61 (2)	Au1^xiv—Ce3—Au3^xv	134.87 (4)
Ge2^ii—Ce1—Ge3^iv	94.15 (2)	Ge1^xiv—Ce3—Au3^xv	134.87 (4)
Au3^iii—Ce1—Ge3^iv	170.40 (4)	Au3^x—Ce3—Ge3^xv	140.50 (4)
Ge3^iii—Ce1—Ge3^iv	170.40 (4)	Ge3^x—Ce3—Ge3^xv	140.50 (4)
Au3^iv—Ce1—Ge3^iv	0.00 (4)	Ge2^xi—Ce3—Ge3^xv	91.17 (5)
Au1^i—Ce1—Ge2^v	176.05 (4)	Au3^xii—Ce3—Ge3^xv	80.58 (4)
Ge1^i—Ce1—Ge2^v	176.05 (4)	Ge3^xii—Ce3—Ge3^xv	80.58 (4)
Ge2^ii—Ce1—Ge2^v	86.51 (4)	Ge2^xiii—Ce3—Ge3^xv	87.43 (4)
Au3^iii—Ce1—Ge2^v	92.67 (2)	Au1^xiv—Ce3—Ge3^xv	134.87 (4)
Ge3^iii—Ce1—Ge2^v	92.67 (2)	Ge1^xiv—Ce3—Ge3^xv	134.87 (4)
Au3^iv—Ce1—Ge2^v	92.67 (2)	Au3^xv—Ce3—Ge3^xv	0.00 (4)
Ge3^iv—Ce1—Ge2^v	92.67 (2)	Au3^x—Ce3—Au3^xvi	79.24 (5)
Au1^i—Ce1—Au1^vi	91.69 (4)	Ge3^x—Ce3—Au3^xvi	79.24 (5)
Ge1^i—Ce1—Au1^vi	91.69 (4)	Ge2^xi—Ce3—Au3^xvi	84.06 (5)
Ge2^ii—Ce1—Au1^vi	178.77 (4)	Au3^xii—Ce3—Au3^xvi	98.93 (4)
Au3^iii—Ce1—Au1^vi	85.91 (2)	Ge3^xii—Ce3—Au3^xvi	98.93 (4)
Ge3^iii—Ce1—Au1^vi	85.91 (2)	Ge2^xiii—Ce3—Au3^xvi	147.46 (4)
Au3^iv—Ce1—Au1^vi	85.91 (2)	Au1^xiv—Ce3—Au3^xvi	159.14 (3)
Ge3^iv—Ce1—Au1^vi	85.91 (2)	Ge1^xiv—Ce3—Au3^xvi	159.14 (3)
Ge2^v—Ce1—Au1^vi	92.27 (5)	Au3^xv—Ce3—Au3^xvi	62.45 (5)
Au1^i—Ce1—Ge1^vi	91.69 (4)	Ge3^xv—Ce3—Au3^xvi	62.45 (5)
Ge1^i—Ce1—Ge1^vi	91.69 (4)	Au3^x—Ce3—Ce2^xvii	98.22 (3)
Ge2^ii—Ce1—Ge1^vi	178.77 (4)	Ge3^x—Ce3—Ce2^xvii	98.22 (3)
Au3^iii—Ce1—Ge1^vi	85.91 (2)	Ge2^xi—Ce3—Ce2^xvii	128.23 (4)
Ge3^iii—Ce1—Ge1^vi	85.91 (2)	Au3^xii—Ce3—Ce2^xvii	50.79 (3)
Au3^iv—Ce1—Ge1^vi	85.91 (2)	Ge3^xii—Ce3—Ce2^xvii	50.79 (3)
Ge3^iv—Ce1—Ge1^vi	85.91 (2)	Ge2^xiii—Ce3—Ce2^xvii	119.87 (4)
Ge2^v—Ce1—Ge1^vi	92.27 (5)	Au1^xiv—Ce3—Ce2^xvii	146.91 (3)
Au1^vi—Ce1—Ge1^vi	0.00 (3)	Ge1^xiv—Ce3—Ce2^xvii	146.91 (3)
Au1^i—Ce1—Ce2^vii	127.59 (4)	Au3^xv—Ce3—Ce2^xvii	50.147 (19)
Ge1^i—Ce1—Ce2^vii	127.59 (4)	Ge3^xv—Ce3—Ce2^xvii	50.147 (19)
Ge2^ii—Ce1—Ce2^vii	123.10 (3)	Au3^xvi—Ce3—Ce2^xvii	50.02 (3)
Au3^iii—Ce1—Ce2^vii	124.25 (3)	Ge2^v—Ge1—Ce1^xi	118.17 (6)
Ge3^iii—Ce1—Ce2^vii	124.25 (3)	Ge2^v—Ge1—Ce2^vii	65.57 (4)
Au3^iv—Ce1—Ce2^vii	53.80 (3)	Ce1^xi—Ge1—Ce2^vii	138.78 (3)
Ge3^iv—Ce1—Ce2^vii	53.80 (3)	Ge2^v—Ge1—Ce2^v	65.57 (4)
Ge2^v—Ce1—Ce2^vii	55.16 (4)	Ce1^xi—Ge1—Ce2^v	138.78 (3)
Au1^vi—Ce1—Ce2^vii	56.02 (2)	Ce2^vii—Ge1—Ce2^v	81.92 (5)
Ge1^vi—Ce1—Ce2^vii	56.02 (2)	Ge2^v—Ge1—Ce2^xviii	140.35 (2)
Au1^i—Ce1—Ce2^v	127.59 (4)	Ce1^xi—Ge1—Ce2^xviii	71.07 (4)
Ge1^i—Ce1—Ce2^v	127.59 (4)	Ce2^vii—Ge1—Ce2^xviii	82.72 (4)
Ge2^ii—Ce1—Ce2^v	123.10 (3)	Ce2^v—Ge1—Ce2^xviii	135.06 (4)
Au3^iii—Ce1—Ce2^v	53.80 (3)	Ge2^v—Ge1—Ce2^xi	140.35 (2)
Ge3^iii—Ce1—Ce2^v	53.80 (3)	Ce1^xi—Ge1—Ce2^xi	71.07 (4)
Au3^iv—Ce1—Ce2^v	124.25 (3)	Ce2^vii—Ge1—Ce2^xi	135.06 (4)
Ge3^iv—Ce1—Ce2^v	124.25 (3)	Ce2^v—Ge1—Ce2^xi	82.72 (4)
Ge2^v—Ce1—Ce2^v	55.16 (4)	Ce2^xviii—Ge1—Ce2^xi	79.07 (5)
Au1^vi—Ce1—Ce2^v	56.02 (2)	Ge2^v—Ge1—Ce1^v	118.82 (6)
Ge1^vi—Ce1—Ce2^v	56.02 (2)	Ce1^xi—Ge1—Ce1^v	123.01 (4)
Ce2^vii—Ce1—Ce2^v	70.72 (4)	Ce2^vii—Ge1—Ce1^v	69.26 (2)
Au3^viii—Ce2—Ge3^viii	0.00 (5)	Ce2^v—Ge1—Ce1^v	69.26 (2)
Au3^viii—Ce2—Au3^iii	92.33 (4)	Ce2^xviii—Ge1—Ce1^v	65.80 (4)
Ge3^viii—Ce2—Au3^iii	92.33 (4)	Ce2^xi—Ge1—Ce1^v	65.80 (4)
Au3^viii—Ce2—Ge3^iii	92.33 (4)	Ge2^v—Ge1—Ce3^xix	66.17 (4)
Ge3^viii—Ce2—Ge3^iii	92.33 (4)	Ce1^xi—Ge1—Ce3^xix	70.60 (2)
Au3^iii—Ce2—Ge3^iii	0.00 (5)	Ce2^vii—Ge1—Ce3^xix	75.59 (3)
Au3^viii—Ce2—Au3^ix	73.60 (4)	Ce2^v—Ge1—Ce3^xix	131.62 (4)
Ge3^viii—Ce2—Au3^ix	73.60 (4)	Ce2^xviii—Ge1—Ce3^xix	83.92 (5)
Au3^iii—Ce2—Au3^ix	120.62 (4)	Ce2^xi—Ge1—Ce3^xix	141.32 (4)
Ge3^iii—Ce2—Au3^ix	120.62 (4)	Ce1^v—Ge1—Ce3^xix	135.59 (3)
Au3^viii—Ce2—Ge3^ix	73.60 (4)	Ge2^v—Ge1—Ce3^ii	66.17 (4)
Ge3^viii—Ce2—Ge3^ix	73.60 (4)	Ce1^xi—Ge1—Ce3^ii	70.60 (2)
Au3^iii—Ce2—Ge3^ix	120.62 (4)	Ce2^vii—Ge1—Ce3^ii	131.62 (4)
Ge3^iii—Ce2—Ge3^ix	120.62 (4)	Ce2^v—Ge1—Ce3^ii	75.59 (3)
Au3^ix—Ce2—Ge3^ix	0.00 (5)	Ce2^xviii—Ge1—Ce3^ii	141.32 (4)
Au3^viii—Ce2—Au1^vi	107.62 (4)	Ce2^xi—Ge1—Ce3^ii	83.92 (5)
Ge3^viii—Ce2—Au1^vi	107.62 (4)	Ce1^v—Ge1—Ce3^ii	135.59 (3)
Au3^iii—Ce2—Au1^vi	92.36 (4)	Ce3^xix—Ge1—Ce3^ii	88.28 (6)
Ge3^iii—Ce2—Au1^vi	92.36 (4)	Au1^vi—Ge2—Ge1^vi	0.00 (4)
Au3^ix—Ce2—Au1^vi	147.01 (4)	Au1^vi—Ge2—Ce1^xiv	120.05 (7)
Ge3^ix—Ce2—Au1^vi	147.01 (4)	Ge1^vi—Ge2—Ce1^xiv	120.05 (7)
Au3^viii—Ce2—Ge1^vi	107.62 (4)	Au1^vi—Ge2—Ce2^xx	64.27 (5)
Ge3^viii—Ce2—Ge1^vi	107.62 (4)	Ge1^vi—Ge2—Ce2^xx	64.27 (5)
Au3^iii—Ce2—Ge1^vi	92.36 (4)	Ce1^xiv—Ge2—Ce2^xx	139.33 (3)
Ge3^iii—Ce2—Ge1^vi	92.36 (4)	Au1^vi—Ge2—Ce2	64.27 (5)
Au3^ix—Ce2—Ge1^vi	147.01 (4)	Ge1^vi—Ge2—Ce2	64.27 (5)
Ge3^ix—Ce2—Ge1^vi	147.01 (4)	Ce1^xiv—Ge2—Ce2	139.33 (3)
Au1^vi—Ce2—Ge1^vi	0.0	Ce2^xx—Ge2—Ce2	80.88 (6)
Au3^viii—Ce2—Ge2	95.93 (5)	Au1^vi—Ge2—Ce3^xxi	133.27 (3)
Ge3^viii—Ce2—Ge2	95.93 (5)	Ge1^vi—Ge2—Ce3^xxi	133.27 (3)
Au3^iii—Ce2—Ge2	142.36 (4)	Ce1^xiv—Ge2—Ce3^xxi	72.02 (4)
Ge3^iii—Ce2—Ge2	142.36 (4)	Ce2^xx—Ge2—Ce3^xxi	78.53 (5)
Au3^ix—Ce2—Ge2	96.91 (4)	Ce2—Ge2—Ce3^xxi	138.09 (5)
Ge3^ix—Ce2—Ge2	96.91 (4)	Au1^vi—Ge2—Ce3^i	133.27 (3)
Au1^vi—Ce2—Ge2	50.16 (3)	Ge1^vi—Ge2—Ce3^i	133.27 (3)
Ge1^vi—Ce2—Ge2	50.16 (3)	Ce1^xiv—Ge2—Ce3^i	72.02 (4)
Au3^viii—Ce2—Ge1^i	160.26 (3)	Ce2^xx—Ge2—Ce3^i	138.09 (5)
Ge3^viii—Ce2—Ge1^i	160.26 (3)	Ce2—Ge2—Ce3^i	78.52 (5)
Au3^iii—Ce2—Ge1^i	88.10 (5)	Ce3^xxi—Ge2—Ce3^i	93.28 (6)
Ge3^iii—Ce2—Ge1^i	88.10 (5)	Au1^vi—Ge2—Ce1^vi	114.22 (7)
Au3^ix—Ce2—Ge1^i	89.22 (5)	Ge1^vi—Ge2—Ce1^vi	114.22 (7)
Ge3^ix—Ce2—Ge1^i	89.22 (5)	Ce1^xiv—Ge2—Ce1^vi	125.74 (5)
Au1^vi—Ce2—Ge1^i	92.08 (4)	Ce2^xx—Ge2—Ce1^vi	66.92 (3)
Ge1^vi—Ce2—Ge1^i	92.08 (4)	Ce2—Ge2—Ce1^vi	66.92 (3)
Ge2—Ce2—Ge1^i	95.72 (5)	Ce3^xxi—Ge2—Ce1^vi	71.48 (4)
Au3^viii—Ce2—Au1^i	160.26 (3)	Ce3^i—Ge2—Ce1^vi	71.49 (4)
Ge3^viii—Ce2—Au1^i	160.26 (3)	Au1^vi—Ge2—Ce3^xxii	66.37 (4)
Au3^iii—Ce2—Au1^i	88.10 (5)	Ge1^vi—Ge2—Ce3^xxii	66.37 (4)
Ge3^iii—Ce2—Au1^i	88.10 (5)	Ce1^xiv—Ge2—Ce3^xxii	71.73 (3)
Au3^ix—Ce2—Au1^i	89.22 (5)	Ce2^xx—Ge2—Ce3^xxii	75.22 (3)
Ge3^ix—Ce2—Au1^i	89.22 (5)	Ce2—Ge2—Ce3^xxii	130.52 (5)
Au1^vi—Ce2—Au1^i	92.08 (4)	Ce3^xxi—Ge2—Ce3^xxii	77.96 (4)
Ge1^vi—Ce2—Au1^i	92.08 (4)	Ce3^i—Ge2—Ce3^xxii	143.66 (5)
Ge2—Ce2—Au1^i	95.72 (5)	Ce1^vi—Ge2—Ce3^xxii	134.92 (3)
Ge1^i—Ce2—Au1^i	0.00 (3)	Au1^vi—Ge2—Ce3^xxiii	66.37 (4)
Au3^viii—Ce2—Ce1^vi	116.38 (4)	Ge1^vi—Ge2—Ce3^xxiii	66.37 (4)
Ge3^viii—Ce2—Ce1^vi	116.38 (4)	Ce1^xiv—Ge2—Ce3^xxiii	71.73 (3)
Au3^iii—Ce2—Ce1^vi	145.26 (3)	Ce2^xx—Ge2—Ce3^xxiii	130.52 (5)
Ge3^iii—Ce2—Ce1^vi	145.26 (3)	Ce2—Ge2—Ce3^xxiii	75.22 (3)
Au3^ix—Ce2—Ce1^vi	56.81 (4)	Ce3^xxi—Ge2—Ce3^xxiii	143.66 (5)
Ge3^ix—Ce2—Ce1^vi	56.81 (4)	Ce3^i—Ge2—Ce3^xxiii	77.96 (4)
Au1^vi—Ce2—Ce1^vi	96.63 (5)	Ce1^vi—Ge2—Ce3^xxiii	134.92 (3)
Ge1^vi—Ce2—Ce1^vi	96.63 (5)	Ce3^xxii—Ge2—Ce3^xxiii	88.45 (6)
Ge2—Ce2—Ce1^vi	57.92 (4)	Ce2^xxiv—Ge3—Ce2^xxv	146.51 (3)
Ge1^i—Ce2—Ce1^vi	58.18 (4)	Ce2^xxiv—Ge3—Ce2^ix	106.40 (4)
Au1^i—Ce2—Ce1^vi	58.18 (4)	Ce2^xxv—Ge3—Ce2^ix	88.07 (4)
Au3^x—Ce3—Ge3^x	0.00 (4)	Ce2^xxiv—Ge3—Ce3^xxvi	95.24 (4)
Au3^x—Ce3—Ge2^xi	94.27 (5)	Ce2^xxv—Ge3—Ce3^xxvi	92.08 (6)
Ge3^x—Ce3—Ge2^xi	94.27 (5)	Ce2^ix—Ge3—Ce3^xxvi	139.83 (4)
Au3^x—Ce3—Au3^xii	97.15 (5)	Ce2^xxiv—Ge3—Ce1^xxv	140.29 (4)
Ge3^x—Ce3—Au3^xii	97.15 (5)	Ce2^xxv—Ge3—Ce1^xxv	72.90 (3)
Ge2^xi—Ce3—Au3^xii	168.54 (3)	Ce2^ix—Ge3—Ce1^xxv	69.39 (3)
Au3^x—Ce3—Ge3^xii	97.15 (5)	Ce3^xxvi—Ge3—Ce1^xxv	72.32 (3)
Ge3^x—Ce3—Ge3^xii	97.15 (5)	Ce2^xxiv—Ge3—Ce3^xxvii	78.19 (4)
Ge2^xi—Ce3—Ge3^xii	168.54 (3)	Ce2^xxv—Ge3—Ce3^xxvii	70.37 (4)
Au3^xii—Ce3—Ge3^xii	0.00 (4)	Ce2^ix—Ge3—Ce3^xxvii	133.96 (4)
Au3^x—Ce3—Ge2^xiii	132.02 (4)	Ce3^xxvi—Ge3—Ce3^xxvii	82.85 (5)
Ge3^x—Ce3—Ge2^xiii	132.02 (4)	Ce1^xxv—Ge3—Ce3^xxvii	134.37 (4)
Ge2^xi—Ce3—Ge2^xiii	84.58 (4)	Ce2^xxiv—Ge3—Ce3^xv	69.97 (4)
Au3^xii—Ce3—Ge2^xiii	87.11 (5)	Ce2^xxv—Ge3—Ce3^xv	143.48 (4)
Ge3^xii—Ce3—Ge2^xiii	87.11 (5)	Ce2^ix—Ge3—Ce3^xv	77.60 (5)
Au3^x—Ce3—Au1^xiv	84.63 (4)	Ce3^xxvi—Ge3—Ce3^xv	78.75 (5)
Ge3^x—Ce3—Au1^xiv	84.63 (4)	Ce1^xxv—Ge3—Ce3^xv	70.63 (3)
Ge2^xi—Ce3—Au1^xiv	84.03 (5)	Ce3^xxvii—Ge3—Ce3^xv	141.24 (3)

Symmetry codes: (i) x−1, y, z; (ii) x, y, z−1; (iii) −x+1/2, −y+1, z−1/2; (iv) −x+1/2, y−1/2, z−1/2; (v) x+1/2, y, −z+1/2; (vi) x−1/2, y, −z+1/2; (vii) x+1/2, −y+1/2, −z+1/2; (viii) x, y−1, z; (ix) −x, −y+1, −z+1; (x) −x+3/2, −y+1, z+1/2; (xi) x+1, y, z; (xii) x+1/2, y−1, −z+3/2; (xiii) x+1/2, y, −z+3/2; (xiv) x, y, z+1; (xv) −x+1, −y+1, −z+1; (xvi) x+1, y−1, z; (xvii) −x+1, −y, −z+1; (xviii) x+1, −y+1/2, z; (xix) x, −y+1/2, z−1; (xx) x, −y+1/2, z; (xxi) x−1, −y+1/2, z; (xxii) x−1/2, −y+1/2, −z+3/2; (xxiii) x−1/2, y, −z+3/2; (xxiv) x, y+1, z; (xxv) −x+1/2, −y+1, z+1/2; (xxvi) −x+3/2, −y+1, z−1/2; (xxvii) x−1/2, y+1, −z+3/2.