Literature DB >> 21582308

Gadolinium scandium germanide, Gd(2)Sc(3)Ge(4).

Abstract

Gd(2)Sc(3)Ge(4) adopts the ortho-rhom-bic Pu(5)Rh(4)-type structure. The crystal structure contains six sites in the asymmetric unit: two sites are statistically occupied by rare-earth atoms with Gd:Sc ratios of 0.967 (4):0.033 (4) and 0.031 (3):0.969 (3), one site (.m. symmetry) is occupied by Sc atoms, and three distinct sites (two of which with .m. symmetry) are occupied by Ge atoms. The rare-earth atoms form two-dimensional slabs with Ge atoms occupying the trigonal-prismatic voids.

Entities: Chemical Disease Gene

Year: 2009 PMID： 21582308 PMCID： PMC2969084 DOI： 10.1107/S1600536809007211

Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN： 1600-5368

Related literature

The title compound adopts the Pu5Rh4-type structure (Cromer, 1977 ▶). For Ge⋯Ge distances, see: Mozharivskyj et al. (2003 ▶); Holtzberg et al. (1967 ▶); Smith et al. (1967 ▶). For atomic radii. see: Shannon (1976 ▶). For the Hamilton significance test, see: Hamilton (1965 ▶). For a mixed rare-earth system, see: Misra & Miller (2008 ▶).

Experimental

Crystal data

Gd2Sc3Ge4 M = 739.74 Orthorhombic, a = 7.2445 (13) Å b = 14.101 (3) Å c = 7.4930 (14) Å V = 765.4 (2) Å3 Z = 4 Mo Kα radiation μ = 34.91 mm−1 T = 298 K 0.06 × 0.05 × 0.01 mm

Data collection

Bruker SMART CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2002 ▶) T min = 0.127, T max = 0.705 6182 measured reflections 958 independent reflections 816 reflections with I > 2s(I) R int = 0.070

Refinement

R[F 2 > 2σ(F 2)] = 0.031 wR(F 2) = 0.066 S = 1.05 958 reflections 49 parameters Δρmax = 2.20 e Å−3 Δρmin = −1.44 e Å−3 Data collection: SMART (Bruker, 2002 ▶); cell refinement: SAINT (Bruker, 2002 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg, 1999 ▶); software used to prepare material for publication: SHELXTL (Sheldrick, 2008 ▶). Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809007211/mg2062sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536809007211/mg2062Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Gd₂Sc₃Ge₄	F(000) = 1276
M_r = 739.74	D_x = 6.419 Mg m⁻³
Orthorhombic, Pnma	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2n	Cell parameters from 6182 reflections
a = 7.2445 (13) Å	θ = 3.1–27.8°
b = 14.101 (3) Å	µ = 34.91 mm⁻¹
c = 7.4930 (14) Å	T = 298 K
V = 765.4 (2) Å³	Plate, grey
Z = 4	0.06 × 0.05 × 0.01 mm

Bruker SMART CCD area-detector diffractometer	958 independent reflections
Radiation source: fine-focus sealed tube	816 reflections with I > 2s(I)
graphite	R_int = 0.070
φ and ω scans	θ_max = 28.2°, θ_min = 2.9°
Absorption correction: multi-scan (SADABS; Bruker, 2002)	h = −9→9
T_min = 0.127, T_max = 0.705	k = −17→18
6182 measured reflections	l = −9→9

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)] = 0.031	w = 1/[σ²(F_o²) + (0.0171P)² + 3.8343P] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.066	(Δ/σ)_max = 0.001
S = 1.05	Δρ_max = 2.20 e Å⁻³
958 reflections	Δρ_min = −1.44 e Å⁻³
49 parameters	Extinction correction: SHELXL97 (Bruker, 2002), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.00245 (16)

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.

	x	y	z	U_iso*/U_eq	Occ. (<1)
Gd1	0.99788 (5)	0.40395 (3)	0.17641 (5)	0.00746 (16)	0.967 (4)
Sc1	0.99788 (5)	0.40395 (3)	0.17641 (5)	0.00746 (16)	0.033 (4)
Gd2	0.6602 (2)	0.37594 (9)	0.83229 (17)	0.0081 (5)	0.031 (3)
Sc2	0.6602 (2)	0.37594 (9)	0.83229 (17)	0.0081 (5)	0.969 (3)
Sc3	0.1761 (3)	0.7500	0.5005 (3)	0.0072 (4)
Ge1	0.82216 (12)	0.45888 (6)	0.54068 (11)	0.0091 (2)
Ge2	0.03997 (16)	0.7500	0.12561 (16)	0.0081 (3)
Ge3	0.30680 (16)	0.7500	0.86322 (15)	0.0081 (3)

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Gd1	0.0064 (2)	0.0085 (2)	0.0074 (2)	0.00025 (14)	0.00024 (15)	0.00013 (15)
Sc1	0.0064 (2)	0.0085 (2)	0.0074 (2)	0.00025 (14)	0.00024 (15)	0.00013 (15)
Gd2	0.0095 (8)	0.0083 (7)	0.0065 (8)	0.0000 (5)	0.0006 (5)	0.0001 (5)
Sc2	0.0095 (8)	0.0083 (7)	0.0065 (8)	0.0000 (5)	0.0006 (5)	0.0001 (5)
Sc3	0.0067 (10)	0.0079 (10)	0.0072 (10)	0.000	0.0000 (8)	0.000
Ge1	0.0113 (5)	0.0086 (4)	0.0073 (4)	0.0011 (3)	−0.0009 (3)	0.0008 (3)
Ge2	0.0068 (6)	0.0098 (6)	0.0077 (6)	0.000	0.0012 (5)	0.000
Ge3	0.0085 (6)	0.0082 (6)	0.0077 (6)	0.000	−0.0008 (5)	0.000

Gd1—Ge3ⁱ	2.9452 (9)	Sc3—Gd2^xiv	3.268 (2)
Gd1—Ge1ⁱⁱ	2.9605 (10)	Sc3—Sc2^xii	3.283 (2)
Gd1—Ge1	3.1097 (10)	Sc3—Gd2ⁱⁱⁱ	3.283 (2)
Gd1—Ge3ⁱⁱⁱ	3.1101 (10)	Ge1—Sc2ⁱ	2.8070 (16)
Gd1—Ge2^iv	3.1478 (10)	Ge1—Gd2ⁱ	2.8070 (16)
Gd1—Ge1^v	3.1519 (10)	Ge1—Sc2^xv	2.8759 (17)
Gd1—Ge1ⁱ	3.1861 (10)	Ge1—Gd2^xv	2.8759 (17)
Gd1—Sc3ⁱ	3.4681 (17)	Ge1—Ge1^v	2.8907 (17)
Gd1—Sc3ⁱⁱⁱ	3.4877 (17)	Ge1—Gd1^xvi	2.9605 (10)
Gd1—Sc2ⁱ	3.5083 (15)	Ge1—Sc1^xvi	2.9605 (10)
Gd1—Gd2ⁱ	3.5083 (15)	Ge1—Sc3ⁱⁱⁱ	2.9614 (10)
Gd1—Gd2^vi	3.5762 (15)	Ge2—Ge3^vi	2.7572 (17)
Gd2—Ge1	2.7421 (15)	Ge2—Sc2^xiv	2.7668 (16)
Gd2—Ge2^vii	2.7668 (16)	Ge2—Gd2^xiv	2.7668 (16)
Gd2—Ge1^viii	2.8070 (16)	Ge2—Sc2^xiii	2.7668 (16)
Gd2—Ge2ⁱⁱⁱ	2.8234 (17)	Ge2—Gd2^xiii	2.7668 (16)
Gd2—Ge1^ix	2.8759 (17)	Ge2—Sc3^xvi	2.800 (2)
Gd2—Ge3^x	2.9010 (16)	Ge2—Sc2^xii	2.8234 (17)
Gd2—Sc3^vii	3.268 (2)	Ge2—Gd2^xii	2.8234 (17)
Gd2—Sc3ⁱⁱⁱ	3.283 (2)	Ge2—Gd2ⁱⁱⁱ	2.8234 (17)
Gd2—Gd1^viii	3.5083 (15)	Ge2—Sc2ⁱⁱⁱ	2.8234 (17)
Gd2—Sc1^viii	3.5083 (15)	Ge2—Sc1^iv	3.1478 (10)
Gd2—Sc2^xi	3.552 (3)	Ge3—Ge2^xvii	2.7572 (17)
Gd2—Gd2^xi	3.552 (3)	Ge3—Sc3^xv	2.864 (2)
Sc3—Ge2ⁱⁱ	2.800 (2)	Ge3—Sc2^xviii	2.9010 (16)
Sc3—Ge3^ix	2.864 (2)	Ge3—Gd2^xviii	2.9010 (16)
Sc3—Ge3	2.878 (2)	Ge3—Sc2^x	2.9010 (16)
Sc3—Ge1^xii	2.9614 (10)	Ge3—Gd2^x	2.9010 (16)
Sc3—Ge1ⁱⁱⁱ	2.9614 (10)	Ge3—Gd1^xix	2.9452 (9)
Sc3—Ge2	2.977 (2)	Ge3—Sc1^xix	2.9452 (9)
Sc3—Sc2^xiii	3.268 (2)	Ge3—Gd1^viii	2.9452 (9)
Sc3—Gd2^xiii	3.268 (2)	Ge3—Sc1^viii	2.9452 (9)
Sc3—Sc2^xiv	3.268 (2)	Ge3—Gd1ⁱⁱⁱ	3.1101 (10)

Ge3ⁱ—Gd1—Ge1ⁱⁱ	94.17 (3)	Ge3^ix—Sc3—Gd2ⁱⁱⁱ	127.47 (6)
Ge3ⁱ—Gd1—Ge1	87.88 (3)	Ge3—Sc3—Gd2ⁱⁱⁱ	126.76 (6)
Ge1ⁱⁱ—Gd1—Ge1	137.90 (3)	Ge1^xii—Sc3—Gd2ⁱⁱⁱ	117.23 (7)
Ge3ⁱ—Gd1—Ge3ⁱⁱⁱ	82.64 (2)	Ge1ⁱⁱⁱ—Sc3—Gd2ⁱⁱⁱ	51.79 (3)
Ge1ⁱⁱ—Gd1—Ge3ⁱⁱⁱ	133.89 (3)	Ge2—Sc3—Gd2ⁱⁱⁱ	53.35 (4)
Ge1—Gd1—Ge3ⁱⁱⁱ	88.12 (3)	Sc2^xiii—Sc3—Gd2ⁱⁱⁱ	71.49 (4)
Ge3ⁱ—Gd1—Ge2^iv	82.83 (3)	Gd2^xiii—Sc3—Gd2ⁱⁱⁱ	71.49 (4)
Ge1ⁱⁱ—Gd1—Ge2^iv	81.64 (3)	Sc2^xiv—Sc3—Gd2ⁱⁱⁱ	105.69 (6)
Ge1—Gd1—Ge2^iv	140.09 (3)	Gd2^xiv—Sc3—Gd2ⁱⁱⁱ	105.69 (6)
Ge3ⁱⁱⁱ—Gd1—Ge2^iv	52.28 (3)	Sc2^xii—Sc3—Gd2ⁱⁱⁱ	65.50 (6)
Ge3ⁱ—Gd1—Ge1^v	86.21 (3)	Gd2—Ge1—Sc2ⁱ	144.75 (4)
Ge1ⁱⁱ—Gd1—Ge1^v	83.153 (17)	Gd2—Ge1—Gd2ⁱ	144.75 (4)
Ge1—Gd1—Ge1^v	54.98 (3)	Sc2ⁱ—Ge1—Gd2ⁱ	0.00 (5)
Ge3ⁱⁱⁱ—Gd1—Ge1^v	141.82 (3)	Gd2—Ge1—Sc2^xv	85.83 (4)
Ge2^iv—Gd1—Ge1^v	160.52 (3)	Sc2ⁱ—Ge1—Sc2^xv	118.86 (4)
Ge3ⁱ—Gd1—Ge1ⁱ	161.59 (3)	Gd2ⁱ—Ge1—Sc2^xv	118.86 (4)
Ge1ⁱⁱ—Gd1—Ge1ⁱ	104.08 (3)	Gd2—Ge1—Gd2^xv	85.83 (4)
Ge1—Gd1—Ge1ⁱ	80.275 (17)	Sc2ⁱ—Ge1—Gd2^xv	118.86 (4)
Ge3ⁱⁱⁱ—Gd1—Ge1ⁱ	82.92 (3)	Gd2ⁱ—Ge1—Gd2^xv	118.86 (4)
Ge2^iv—Gd1—Ge1ⁱ	97.23 (3)	Sc2^xv—Ge1—Gd2^xv	0.00 (7)
Ge1^v—Gd1—Ge1ⁱ	98.23 (3)	Gd2—Ge1—Ge1^v	136.10 (5)
Ge3ⁱ—Gd1—Sc3ⁱ	52.57 (4)	Sc2ⁱ—Ge1—Ge1^v	60.61 (4)
Ge1ⁱⁱ—Gd1—Sc3ⁱ	54.16 (3)	Gd2ⁱ—Ge1—Ge1^v	60.61 (4)
Ge1—Gd1—Sc3ⁱ	140.20 (4)	Sc2^xv—Ge1—Ge1^v	58.26 (4)
Ge3ⁱⁱⁱ—Gd1—Sc3ⁱ	90.58 (3)	Gd2^xv—Ge1—Ge1^v	58.26 (4)
Ge2^iv—Gd1—Sc3ⁱ	49.79 (4)	Gd2—Ge1—Gd1^xvi	89.24 (4)
Ge1^v—Gd1—Sc3ⁱ	110.99 (4)	Sc2ⁱ—Ge1—Gd1^xvi	86.99 (4)
Ge1ⁱ—Gd1—Sc3ⁱ	138.95 (4)	Gd2ⁱ—Ge1—Gd1^xvi	86.99 (4)
Ge3ⁱ—Gd1—Sc3ⁱⁱⁱ	52.04 (4)	Sc2^xv—Ge1—Gd1^xvi	138.69 (4)
Ge1ⁱⁱ—Gd1—Sc3ⁱⁱⁱ	146.21 (4)	Gd2^xv—Ge1—Gd1^xvi	138.69 (4)
Ge1—Gd1—Sc3ⁱⁱⁱ	52.97 (3)	Ge1^v—Ge1—Gd1^xvi	134.14 (5)
Ge3ⁱⁱⁱ—Gd1—Sc3ⁱⁱⁱ	51.34 (4)	Gd2—Ge1—Sc1^xvi	89.24 (4)
Ge2^iv—Gd1—Sc3ⁱⁱⁱ	92.20 (3)	Sc2ⁱ—Ge1—Sc1^xvi	86.99 (4)
Ge1^v—Gd1—Sc3ⁱⁱⁱ	93.70 (4)	Gd2ⁱ—Ge1—Sc1^xvi	86.99 (4)
Ge1ⁱ—Gd1—Sc3ⁱⁱⁱ	109.66 (4)	Sc2^xv—Ge1—Sc1^xvi	138.69 (4)
Sc3ⁱ—Gd1—Sc3ⁱⁱⁱ	96.92 (4)	Gd2^xv—Ge1—Sc1^xvi	138.69 (4)
Ge3ⁱ—Gd1—Sc2ⁱ	130.59 (3)	Ge1^v—Ge1—Sc1^xvi	134.14 (5)
Ge1ⁱⁱ—Gd1—Sc2ⁱ	102.15 (3)	Gd1^xvi—Ge1—Sc1^xvi	0.000 (17)
Ge1—Gd1—Sc2ⁱ	49.75 (3)	Gd2—Ge1—Sc3ⁱⁱⁱ	70.16 (5)
Ge3ⁱⁱⁱ—Gd1—Sc2ⁱ	114.68 (3)	Sc2ⁱ—Ge1—Sc3ⁱⁱⁱ	140.10 (6)
Ge2^iv—Gd1—Sc2ⁱ	145.18 (3)	Gd2ⁱ—Ge1—Sc3ⁱⁱⁱ	140.10 (6)
Ge1^v—Gd1—Sc2ⁱ	50.82 (3)	Sc2^xv—Ge1—Sc3ⁱⁱⁱ	68.07 (5)
Ge1ⁱ—Gd1—Sc2ⁱ	48.06 (3)	Gd2^xv—Ge1—Sc3ⁱⁱⁱ	68.07 (5)
Sc3ⁱ—Gd1—Sc2ⁱ	154.50 (3)	Ge1^v—Ge1—Sc3ⁱⁱⁱ	111.92 (6)
Sc3ⁱⁱⁱ—Gd1—Sc2ⁱ	101.62 (3)	Gd1^xvi—Ge1—Sc3ⁱⁱⁱ	71.70 (5)
Ge3ⁱ—Gd1—Gd2ⁱ	130.59 (3)	Sc1^xvi—Ge1—Sc3ⁱⁱⁱ	71.70 (5)
Ge1ⁱⁱ—Gd1—Gd2ⁱ	102.15 (3)	Gd2—Ge1—Gd1	140.21 (4)
Ge1—Gd1—Gd2ⁱ	49.75 (3)	Sc2ⁱ—Ge1—Gd1	72.53 (3)
Ge3ⁱⁱⁱ—Gd1—Gd2ⁱ	114.68 (3)	Gd2ⁱ—Ge1—Gd1	72.53 (3)
Ge2^iv—Gd1—Gd2ⁱ	145.18 (3)	Sc2^xv—Ge1—Gd1	80.83 (4)
Ge1^v—Gd1—Gd2ⁱ	50.82 (3)	Gd2^xv—Ge1—Gd1	80.83 (4)
Ge1ⁱ—Gd1—Gd2ⁱ	48.06 (3)	Ge1^v—Ge1—Gd1	63.25 (3)
Sc3ⁱ—Gd1—Gd2ⁱ	154.50 (3)	Gd1^xvi—Ge1—Gd1	77.14 (2)
Sc3ⁱⁱⁱ—Gd1—Gd2ⁱ	101.62 (3)	Sc1^xvi—Ge1—Gd1	77.14 (2)
Sc2ⁱ—Gd1—Gd2ⁱ	0.00 (4)	Sc3ⁱⁱⁱ—Ge1—Gd1	70.08 (4)
Ge3ⁱ—Gd1—Gd2^vi	126.15 (3)	Ge3^vi—Ge2—Sc2^xiv	140.05 (3)
Ge1ⁱⁱ—Gd1—Gd2^vi	100.11 (3)	Ge3^vi—Ge2—Gd2^xiv	140.05 (3)
Ge1—Gd1—Gd2^vi	112.35 (3)	Sc2^xiv—Ge2—Gd2^xiv	0.00 (5)
Ge3ⁱⁱⁱ—Gd1—Gd2^vi	50.84 (3)	Ge3^vi—Ge2—Sc2^xiii	140.05 (3)
Ge2^iv—Gd1—Gd2^vi	49.15 (3)	Sc2^xiv—Ge2—Sc2^xiii	79.86 (7)
Ge1^v—Gd1—Gd2^vi	146.68 (3)	Gd2^xiv—Ge2—Sc2^xiii	79.86 (7)
Ge1ⁱ—Gd1—Gd2^vi	48.63 (3)	Ge3^vi—Ge2—Gd2^xiii	140.05 (3)
Sc3ⁱ—Gd1—Gd2^vi	97.04 (4)	Sc2^xiv—Ge2—Gd2^xiii	79.86 (7)
Sc3ⁱⁱⁱ—Gd1—Gd2^vi	100.63 (4)	Gd2^xiv—Ge2—Gd2^xiii	79.86 (7)
Sc2ⁱ—Gd1—Gd2^vi	96.57 (3)	Sc2^xiii—Ge2—Gd2^xiii	0.00 (5)
Gd2ⁱ—Gd1—Gd2^vi	96.57 (3)	Ge3^vi—Ge2—Sc3^xvi	114.80 (6)
Ge1—Gd2—Ge2^vii	92.98 (5)	Sc2^xiv—Ge2—Sc3^xvi	72.27 (5)
Ge1—Gd2—Ge1^viii	94.01 (4)	Gd2^xiv—Ge2—Sc3^xvi	72.27 (5)
Ge2^vii—Gd2—Ge1^viii	150.21 (6)	Sc2^xiii—Ge2—Sc3^xvi	72.27 (5)
Ge1—Gd2—Ge2ⁱⁱⁱ	91.61 (5)	Gd2^xiii—Ge2—Sc3^xvi	72.27 (5)
Ge2^vii—Gd2—Ge2ⁱⁱⁱ	93.56 (4)	Ge3^vi—Ge2—Sc2^xii	62.63 (4)
Ge1^viii—Gd2—Ge2ⁱⁱⁱ	115.13 (5)	Sc2^xiv—Ge2—Sc2^xii	86.39 (4)
Ge1—Gd2—Ge1^ix	117.05 (5)	Gd2^xiv—Ge2—Sc2^xii	86.39 (4)
Ge2^vii—Gd2—Ge1^ix	90.00 (5)	Sc2^xiii—Ge2—Sc2^xii	138.11 (5)
Ge1^viii—Gd2—Ge1^ix	61.14 (4)	Gd2^xiii—Ge2—Sc2^xii	138.11 (5)
Ge2ⁱⁱⁱ—Gd2—Ge1^ix	150.92 (6)	Sc3^xvi—Ge2—Sc2^xii	139.64 (4)
Ge1—Gd2—Ge3^x	148.48 (6)	Ge3^vi—Ge2—Gd2^xii	62.63 (4)
Ge2^vii—Gd2—Ge3^x	95.19 (5)	Sc2^xiv—Ge2—Gd2^xii	86.39 (4)
Ge1^viii—Gd2—Ge3^x	93.83 (5)	Gd2^xiv—Ge2—Gd2^xii	86.39 (4)
Ge2ⁱⁱⁱ—Gd2—Ge3^x	57.57 (4)	Sc2^xiii—Ge2—Gd2^xii	138.11 (5)
Ge1^ix—Gd2—Ge3^x	93.37 (5)	Gd2^xiii—Ge2—Gd2^xii	138.11 (5)
Ge1—Gd2—Sc3^vii	149.10 (6)	Sc3^xvi—Ge2—Gd2^xii	139.64 (4)
Ge2^vii—Gd2—Sc3^vii	58.41 (5)	Sc2^xii—Ge2—Gd2^xii	0.00 (7)
Ge1^viii—Gd2—Sc3^vii	105.69 (5)	Ge3^vi—Ge2—Gd2ⁱⁱⁱ	62.63 (4)
Ge2ⁱⁱⁱ—Gd2—Sc3^vii	100.88 (5)	Sc2^xiv—Ge2—Gd2ⁱⁱⁱ	138.11 (5)
Ge1^ix—Gd2—Sc3^vii	57.21 (4)	Gd2^xiv—Ge2—Gd2ⁱⁱⁱ	138.11 (5)
Ge3^x—Gd2—Sc3^vii	54.94 (5)	Sc2^xiii—Ge2—Gd2ⁱⁱⁱ	86.39 (4)
Ge1—Gd2—Sc3ⁱⁱⁱ	58.06 (4)	Gd2^xiii—Ge2—Gd2ⁱⁱⁱ	86.39 (4)
Ge2^vii—Gd2—Sc3ⁱⁱⁱ	54.33 (5)	Sc3^xvi—Ge2—Gd2ⁱⁱⁱ	139.64 (4)
Ge1^viii—Gd2—Sc3ⁱⁱⁱ	148.75 (6)	Sc2^xii—Ge2—Gd2ⁱⁱⁱ	77.95 (6)
Ge2ⁱⁱⁱ—Gd2—Sc3ⁱⁱⁱ	57.77 (5)	Gd2^xii—Ge2—Gd2ⁱⁱⁱ	77.95 (6)
Ge1^ix—Gd2—Sc3ⁱⁱⁱ	141.16 (6)	Ge3^vi—Ge2—Sc2ⁱⁱⁱ	62.63 (4)
Ge3^x—Gd2—Sc3ⁱⁱⁱ	103.67 (5)	Sc2^xiv—Ge2—Sc2ⁱⁱⁱ	138.11 (5)
Sc3^vii—Gd2—Sc3ⁱⁱⁱ	105.56 (5)	Gd2^xiv—Ge2—Sc2ⁱⁱⁱ	138.11 (5)
Ge1—Gd2—Gd1^viii	59.81 (3)	Sc2^xiii—Ge2—Sc2ⁱⁱⁱ	86.39 (4)
Ge2^vii—Gd2—Gd1^viii	102.14 (4)	Gd2^xiii—Ge2—Sc2ⁱⁱⁱ	86.39 (4)
Ge1^viii—Gd2—Gd1^viii	57.73 (3)	Sc3^xvi—Ge2—Sc2ⁱⁱⁱ	139.64 (4)
Ge2ⁱⁱⁱ—Gd2—Gd1^viii	147.65 (5)	Sc2^xii—Ge2—Sc2ⁱⁱⁱ	77.95 (6)
Ge1^ix—Gd2—Gd1^viii	58.16 (3)	Gd2^xii—Ge2—Sc2ⁱⁱⁱ	77.95 (6)
Ge3^x—Gd2—Gd1^viii	146.13 (5)	Gd2ⁱⁱⁱ—Ge2—Sc2ⁱⁱⁱ	0.00 (7)
Sc3^vii—Gd2—Gd1^viii	111.45 (5)	Ge3^vi—Ge2—Sc3	116.13 (6)
Sc3ⁱⁱⁱ—Gd2—Gd1^viii	110.10 (4)	Sc2^xiv—Ge2—Sc3	69.24 (5)
Ge1—Gd2—Sc1^viii	59.81 (3)	Gd2^xiv—Ge2—Sc3	69.24 (5)
Ge2^vii—Gd2—Sc1^viii	102.14 (4)	Sc2^xiii—Ge2—Sc3	69.24 (5)
Ge1^viii—Gd2—Sc1^viii	57.73 (3)	Gd2^xiii—Ge2—Sc3	69.24 (5)
Ge2ⁱⁱⁱ—Gd2—Sc1^viii	147.65 (5)	Sc3^xvi—Ge2—Sc3	129.07 (7)
Ge1^ix—Gd2—Sc1^viii	58.16 (3)	Sc2^xii—Ge2—Sc3	68.88 (5)
Ge3^x—Gd2—Sc1^viii	146.13 (5)	Gd2^xii—Ge2—Sc3	68.88 (5)
Sc3^vii—Gd2—Sc1^viii	111.45 (5)	Gd2ⁱⁱⁱ—Ge2—Sc3	68.88 (5)
Sc3ⁱⁱⁱ—Gd2—Sc1^viii	110.10 (4)	Sc2ⁱⁱⁱ—Ge2—Sc3	68.88 (5)
Gd1^viii—Gd2—Sc1^viii	0.000 (12)	Ge3^vi—Ge2—Sc1^iv	63.16 (3)
Ge1—Gd2—Sc2^xi	115.24 (3)	Sc2^xiv—Ge2—Sc1^iv	143.07 (5)
Ge2^vii—Gd2—Sc2^xi	50.07 (3)	Gd2^xiv—Ge2—Sc1^iv	143.07 (5)
Ge1^viii—Gd2—Sc2^xi	146.07 (3)	Sc2^xiii—Ge2—Sc1^iv	85.07 (3)
Ge2ⁱⁱⁱ—Gd2—Sc2^xi	51.02 (3)	Gd2^xiii—Ge2—Sc1^iv	85.07 (3)
Ge1^ix—Gd2—Sc2^xi	113.99 (3)	Sc3^xvi—Ge2—Sc1^iv	71.06 (4)
Ge3^x—Gd2—Sc2^xi	52.25 (3)	Sc2^xii—Ge2—Sc1^iv	125.53 (5)
Sc3^vii—Gd2—Sc2^xi	57.08 (3)	Gd2^xii—Ge2—Sc1^iv	125.53 (5)
Sc3ⁱⁱⁱ—Gd2—Sc2^xi	57.25 (3)	Gd2ⁱⁱⁱ—Ge2—Sc1^iv	73.36 (3)
Gd1^viii—Gd2—Sc2^xi	152.21 (2)	Sc2ⁱⁱⁱ—Ge2—Sc1^iv	73.36 (3)
Sc1^viii—Gd2—Sc2^xi	152.21 (2)	Sc3—Ge2—Sc1^iv	135.00 (2)
Ge1—Gd2—Gd2^xi	115.24 (3)	Ge2^xvii—Ge3—Sc3^xv	113.62 (6)
Ge2^vii—Gd2—Gd2^xi	50.07 (3)	Ge2^xvii—Ge3—Sc3	116.29 (7)
Ge1^viii—Gd2—Gd2^xi	146.07 (3)	Sc3^xv—Ge3—Sc3	130.10 (7)
Ge2ⁱⁱⁱ—Gd2—Gd2^xi	51.02 (3)	Ge2^xvii—Ge3—Sc2^xviii	59.80 (4)
Ge1^ix—Gd2—Gd2^xi	113.99 (3)	Sc3^xv—Ge3—Sc2^xviii	69.05 (5)
Ge3^x—Gd2—Gd2^xi	52.25 (3)	Sc3—Ge3—Sc2^xviii	140.34 (4)
Sc3^vii—Gd2—Gd2^xi	57.08 (3)	Ge2^xvii—Ge3—Gd2^xviii	59.80 (4)
Sc3ⁱⁱⁱ—Gd2—Gd2^xi	57.25 (3)	Sc3^xv—Ge3—Gd2^xviii	69.05 (5)
Gd1^viii—Gd2—Gd2^xi	152.21 (2)	Sc3—Ge3—Gd2^xviii	140.34 (4)
Sc1^viii—Gd2—Gd2^xi	152.21 (2)	Sc2^xviii—Ge3—Gd2^xviii	0.00 (3)
Sc2^xi—Gd2—Gd2^xi	0.00 (6)	Ge2^xvii—Ge3—Sc2^x	59.80 (4)
Ge2ⁱⁱ—Sc3—Ge3^ix	178.82 (9)	Sc3^xv—Ge3—Sc2^x	69.05 (5)
Ge2ⁱⁱ—Sc3—Ge3	90.52 (7)	Sc3—Ge3—Sc2^x	140.34 (4)
Ge3^ix—Sc3—Ge3	88.30 (6)	Sc2^xviii—Ge3—Sc2^x	75.49 (6)
Ge2ⁱⁱ—Sc3—Ge1^xii	87.76 (4)	Gd2^xviii—Ge3—Sc2^x	75.49 (6)
Ge3^ix—Sc3—Ge1^xii	92.35 (4)	Ge2^xvii—Ge3—Gd2^x	59.80 (4)
Ge3—Sc3—Ge1^xii	95.56 (4)	Sc3^xv—Ge3—Gd2^x	69.05 (5)
Ge2ⁱⁱ—Sc3—Ge1ⁱⁱⁱ	87.76 (4)	Sc3—Ge3—Gd2^x	140.34 (4)
Ge3^ix—Sc3—Ge1ⁱⁱⁱ	92.35 (4)	Sc2^xviii—Ge3—Gd2^x	75.49 (6)
Ge3—Sc3—Ge1ⁱⁱⁱ	95.56 (4)	Gd2^xviii—Ge3—Gd2^x	75.49 (6)
Ge1^xii—Sc3—Ge1ⁱⁱⁱ	168.04 (8)	Sc2^x—Ge3—Gd2^x	0.00 (4)
Ge2ⁱⁱ—Sc3—Ge2	89.64 (6)	Ge2^xvii—Ge3—Gd1^xix	132.513 (19)
Ge3^ix—Sc3—Ge2	91.54 (7)	Sc3^xv—Ge3—Gd1^xix	73.78 (4)
Ge3—Sc3—Ge2	179.85 (9)	Sc3—Ge3—Gd1^xix	73.09 (4)
Ge1^xii—Sc3—Ge2	84.44 (4)	Sc2^xviii—Ge3—Gd1^xix	83.28 (3)
Ge1ⁱⁱⁱ—Sc3—Ge2	84.44 (4)	Gd2^xviii—Ge3—Gd1^xix	83.28 (3)
Ge2ⁱⁱ—Sc3—Sc2^xiii	124.88 (6)	Sc2^x—Ge3—Gd1^xix	141.76 (5)
Ge3^ix—Sc3—Sc2^xiii	56.01 (5)	Gd2^x—Ge3—Gd1^xix	141.76 (5)
Ge3—Sc3—Sc2^xiii	127.54 (6)	Ge2^xvii—Ge3—Sc1^xix	132.513 (19)
Ge1^xii—Sc3—Sc2^xiii	120.23 (7)	Sc3^xv—Ge3—Sc1^xix	73.78 (4)
Ge1ⁱⁱⁱ—Sc3—Sc2^xiii	54.72 (4)	Sc3—Ge3—Sc1^xix	73.09 (4)
Ge2—Sc3—Sc2^xiii	52.35 (4)	Sc2^xviii—Ge3—Sc1^xix	83.28 (3)
Ge2ⁱⁱ—Sc3—Gd2^xiii	124.88 (6)	Gd2^xviii—Ge3—Sc1^xix	83.28 (3)
Ge3^ix—Sc3—Gd2^xiii	56.01 (5)	Sc2^x—Ge3—Sc1^xix	141.76 (5)
Ge3—Sc3—Gd2^xiii	127.54 (6)	Gd2^x—Ge3—Sc1^xix	141.76 (5)
Ge1^xii—Sc3—Gd2^xiii	120.23 (7)	Gd1^xix—Ge3—Sc1^xix	0.000 (17)
Ge1ⁱⁱⁱ—Sc3—Gd2^xiii	54.72 (4)	Ge2^xvii—Ge3—Gd1^viii	132.513 (19)
Ge2—Sc3—Gd2^xiii	52.35 (4)	Sc3^xv—Ge3—Gd1^viii	73.78 (4)
Sc2^xiii—Sc3—Gd2^xiii	0.00 (3)	Sc3—Ge3—Gd1^viii	73.09 (4)
Ge2ⁱⁱ—Sc3—Sc2^xiv	124.88 (6)	Sc2^xviii—Ge3—Gd1^viii	141.76 (5)
Ge3^ix—Sc3—Sc2^xiv	56.01 (5)	Gd2^xviii—Ge3—Gd1^viii	141.76 (5)
Ge3—Sc3—Sc2^xiv	127.54 (6)	Sc2^x—Ge3—Gd1^viii	83.28 (3)
Ge1^xii—Sc3—Sc2^xiv	54.72 (4)	Gd2^x—Ge3—Gd1^viii	83.28 (3)
Ge1ⁱⁱⁱ—Sc3—Sc2^xiv	120.23 (7)	Gd1^xix—Ge3—Gd1^viii	94.96 (4)
Ge2—Sc3—Sc2^xiv	52.35 (4)	Sc1^xix—Ge3—Gd1^viii	94.96 (4)
Sc2^xiii—Sc3—Sc2^xiv	65.84 (6)	Ge2^xvii—Ge3—Sc1^viii	132.513 (19)
Gd2^xiii—Sc3—Sc2^xiv	65.84 (6)	Sc3^xv—Ge3—Sc1^viii	73.78 (4)
Ge2ⁱⁱ—Sc3—Gd2^xiv	124.88 (6)	Sc3—Ge3—Sc1^viii	73.09 (4)
Ge3^ix—Sc3—Gd2^xiv	56.01 (5)	Sc2^xviii—Ge3—Sc1^viii	141.76 (5)
Ge3—Sc3—Gd2^xiv	127.54 (6)	Gd2^xviii—Ge3—Sc1^viii	141.76 (5)
Ge1^xii—Sc3—Gd2^xiv	54.72 (4)	Sc2^x—Ge3—Sc1^viii	83.28 (3)
Ge1ⁱⁱⁱ—Sc3—Gd2^xiv	120.23 (7)	Gd2^x—Ge3—Sc1^viii	83.28 (3)
Ge2—Sc3—Gd2^xiv	52.35 (4)	Gd1^xix—Ge3—Sc1^viii	94.96 (4)
Sc2^xiii—Sc3—Gd2^xiv	65.84 (6)	Sc1^xix—Ge3—Sc1^viii	94.96 (4)
Gd2^xiii—Sc3—Gd2^xiv	65.84 (6)	Gd1^viii—Ge3—Sc1^viii	0.000 (17)
Sc2^xiv—Sc3—Gd2^xiv	0.00 (3)	Ge2^xvii—Ge3—Gd1ⁱⁱⁱ	64.56 (3)
Ge2ⁱⁱ—Sc3—Sc2^xii	53.40 (4)	Sc3^xv—Ge3—Gd1ⁱⁱⁱ	134.19 (2)
Ge3^ix—Sc3—Sc2^xii	127.47 (6)	Sc3—Ge3—Gd1ⁱⁱⁱ	71.12 (4)
Ge3—Sc3—Sc2^xii	126.76 (6)	Sc2^xviii—Ge3—Gd1ⁱⁱⁱ	124.12 (5)
Ge1^xii—Sc3—Sc2^xii	51.79 (3)	Gd2^xviii—Ge3—Gd1ⁱⁱⁱ	124.12 (5)
Ge1ⁱⁱⁱ—Sc3—Sc2^xii	117.23 (7)	Sc2^x—Ge3—Gd1ⁱⁱⁱ	72.92 (3)
Ge2—Sc3—Sc2^xii	53.35 (4)	Gd2^x—Ge3—Gd1ⁱⁱⁱ	72.92 (3)
Sc2^xiii—Sc3—Sc2^xii	105.69 (6)	Gd1^xix—Ge3—Gd1ⁱⁱⁱ	144.10 (4)
Gd2^xiii—Sc3—Sc2^xii	105.69 (6)	Sc1^xix—Ge3—Gd1ⁱⁱⁱ	144.10 (4)
Sc2^xiv—Sc3—Sc2^xii	71.49 (4)	Gd1^viii—Ge3—Gd1ⁱⁱⁱ	77.357 (18)
Gd2^xiv—Sc3—Sc2^xii	71.49 (4)	Sc1^viii—Ge3—Gd1ⁱⁱⁱ	77.357 (18)
Ge2ⁱⁱ—Sc3—Gd2ⁱⁱⁱ	53.40 (4)

3 in total

Gadolinium scandium germanide, Gd(2)Sc(3)Ge(4).

Related literature

Experimental

Crystal data

Data collection

Refinement

1. Phase transformation driven by valence electron concentration: tuning interslab bond distances in Gd5GaxGe4-x.

2. A short history of SHELX.

3. Gd5-xYxTt4 (Tt = Si or Ge): effect of metal substitution on structure, bonding, and magnetism.