cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1757764
title: Materials Data on SrCeN2 by Materials Project

description: SrCeN2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sr2+ is bonded to six N3- atoms to form SrN6 octahedra that share corners with two equivalent CeN6 octahedra, corners with four equivalent SrN6 octahedra, edges with four equivalent SrN6 octahedra, and edges with eight equivalent CeN6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are four shorter (2.63 Å) and two longer (2.88 Å) Sr–N bond lengths. Ce4+ is bonded to six N3- atoms to form CeN6 octahedra that share corners with two equivalent SrN6 octahedra, corners with four equivalent CeN6 octahedra, edges with four equivalent CeN6 octahedra, and edges with eight equivalent SrN6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are two shorter (2.27 Å) and four longer (2.63 Å) Ce–N bond lengths. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent Sr2+ and three equivalent Ce4+ atoms to form a mixture of distorted corner and edge-sharing NSr3Ce3 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. In the second N3- site, N3- is bonded to three equivalent Sr2+ and three equivalent Ce4+ atoms to form a mixture of distorted corner and edge-sharing NSr3Ce3 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are two shorter (2.63 Å) and one longer (2.88 Å) N–Sr bond lengths. In the third N3- site, N3- is bonded to three equivalent Sr2+ and three equivalent Ce4+ atoms to form a mixture of distorted corner and edge-sharing NSr3Ce3 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are one shorter (2.27 Å) and two longer (2.63 Å) N–Ce bond lengths. In the fourth N3- site, N3- is bonded to three equivalent Sr2+ and three equivalent Ce4+ atoms to form a mixture of distorted corner and edge-sharing NSr3Ce3 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are two shorter (2.63 Å) and one longer (2.88 Å) N–Sr bond lengths. There are one shorter (2.27 Å) and two longer (2.63 Å) N–Ce bond lengths.
DOI: 10.17188/1757765
title: Materials Data on CsTlCl3 by Materials Project

description: CsTlCl3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Cs is bonded to twelve Cl atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with eight equivalent TlCl6 octahedra. There are a spread of Cs–Cl bond distances ranging from 3.89–4.00 Å. Tl is bonded to six Cl atoms to form TlCl6 octahedra that share corners with six equivalent TlCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–2°. All Tl–Cl bond lengths are 2.79 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded to four equivalent Cs and two equivalent Tl atoms to form a mixture of distorted edge, face, and corner-sharing ClCs4Tl2 octahedra. The corner-sharing octahedra tilt angles range from 1–61°. In the second Cl site, Cl is bonded to four equivalent Cs and two equivalent Tl atoms to form a mixture of distorted edge, face, and corner-sharing ClCs4Tl2 octahedra. The corner-sharing octahedra tilt angles range from 1–61°. In the third Cl site, Cl is bonded to four equivalent Cs and two equivalent Tl atoms to form a mixture of distorted edge, face, and corner-sharing ClCs4Tl2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°.
DOI: 10.17188/1757766
title: Materials Data on RbPbI3O2 by Materials Project

description: RbPbO2I3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb is bonded in a 2-coordinate geometry to two equivalent O and seven I atoms. Both Rb–O bond lengths are 3.34 Å. There are a spread of Rb–I bond distances ranging from 3.69–4.07 Å. Pb is bonded to six I atoms to form edge-sharing PbI6 octahedra. There are a spread of Pb–I bond distances ranging from 3.16–3.40 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Rb and one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a single-bond geometry to one O atom. There are three inequivalent I sites. In the first I site, I is bonded to four equivalent Rb and one Pb atom to form IRb4Pb square pyramids that share corners with four equivalent IRb4Pb square pyramids, corners with two equivalent IRb2Pb2 trigonal pyramids, edges with four equivalent IRb4Pb square pyramids, and edges with four equivalent IRb2Pb2 trigonal pyramids. In the second I site, I is bonded in a rectangular see-saw-like geometry to one Rb and three equivalent Pb atoms. In the third I site, I is bonded to two equivalent Rb and two equivalent Pb atoms to form IRb2Pb2 trigonal pyramids that share corners with two equivalent IRb4Pb square pyramids, corners with four equivalent IRb2Pb2 trigonal pyramids, and edges with four equivalent IRb4Pb square pyramids.
DOI: 10.17188/1757767
title: Materials Data on Li32Ti3Cr13O48 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1757768
title: Materials Data on LaGeIr by Materials Project

description: LaIrGe is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded to six Ir and six Ge atoms to form a mixture of edge and face-sharing LaGe6Ir6 cuboctahedra. There are two shorter (3.22 Å) and four longer (3.31 Å) La–Ir bond lengths. There are two shorter (3.25 Å) and four longer (3.30 Å) La–Ge bond lengths. In the second La site, La is bonded to six Ir and six Ge atoms to form a mixture of edge and face-sharing LaGe6Ir6 cuboctahedra. There are two shorter (3.22 Å) and four longer (3.31 Å) La–Ir bond lengths. There are two shorter (3.25 Å) and four longer (3.30 Å) La–Ge bond lengths. In the third La site, La is bonded to six Ir and six Ge atoms to form a mixture of edge and face-sharing LaGe6Ir6 cuboctahedra. There are two shorter (3.22 Å) and four longer (3.31 Å) La–Ir bond lengths. There are two shorter (3.25 Å) and four longer (3.30 Å) La–Ge bond lengths. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a 3-coordinate geometry to six La and three Ge atoms. There are one shorter (2.45 Å) and two longer (2.47 Å) Ir–Ge bond lengths. In the second Ir site, Ir is bonded in a 3-coordinate geometry to six La and three equivalent Ge atoms. All Ir–La bond lengths are 3.31 Å. There are one shorter (2.45 Å) and two longer (2.47 Å) Ir–Ge bond lengths. In the third Ir site, Ir is bonded in a 3-coordinate geometry to six La and three Ge atoms. There are one shorter (2.45 Å) and two longer (2.47 Å) Ir–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 3-coordinate geometry to six La and three Ir atoms. Both Ge–La bond lengths are 3.25 Å. In the second Ge site, Ge is bonded in a 3-coordinate geometry to six La and three Ir atoms. In the third Ge site, Ge is bonded in a 3-coordinate geometry to six La and three Ir atoms. The Ge–Ir bond length is 2.45 Å.
DOI: 10.17188/1757769
title: Materials Data on YMn2O4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1757770
title: Materials Data on VNi(PO4)2 by Materials Project

description: VNi(PO4)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. V4+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent NiO6 octahedra, corners with four PO4 tetrahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–50°. There are a spread of V–O bond distances ranging from 1.93–2.06 Å. Ni2+ is bonded to six O2- atoms to form distorted NiO6 octahedra that share corners with four equivalent VO6 octahedra, corners with four PO4 tetrahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–50°. There are a spread of Ni–O bond distances ranging from 1.97–2.28 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one NiO6 octahedra, corners with three equivalent VO6 octahedra, and an edgeedge with one NiO6 octahedra. The corner-sharing octahedra tilt angles range from 51–55°. There are a spread of P–O bond distances ranging from 1.50–1.60 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one VO6 octahedra, corners with three equivalent NiO6 octahedra, and an edgeedge with one VO6 octahedra. The corner-sharing octahedra tilt angles range from 40–59°. There are a spread of P–O bond distances ranging from 1.51–1.59 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one V4+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni2+ and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one V4+, one Ni2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V4+, one Ni2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ni2+ and one P5+ atom.
DOI: 10.17188/1757773
title: Materials Data on Sr4Be3Ge5 by Materials Project

description: Sr4Be3Ge5 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to three equivalent Be and nine Ge atoms to form a mixture of edge and face-sharing SrBe3Ge9 cuboctahedra. All Sr–Be bond lengths are 3.26 Å. There are three shorter (3.26 Å) and six longer (3.41 Å) Sr–Ge bond lengths. In the second Sr site, Sr is bonded to six Be and six Ge atoms to form a mixture of edge and face-sharing SrBe6Ge6 cuboctahedra. There are three shorter (3.34 Å) and three longer (3.35 Å) Sr–Be bond lengths. All Sr–Ge bond lengths are 3.34 Å. There are two inequivalent Be sites. In the first Be site, Be is bonded in a distorted trigonal planar geometry to six Sr and three equivalent Ge atoms. All Be–Ge bond lengths are 2.41 Å. In the second Be site, Be is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Ge atoms. All Be–Ge bond lengths are 2.41 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.41 Å. In the second Ge site, Ge is bonded in a distorted trigonal planar geometry to six Sr and three equivalent Be atoms. In the third Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Be atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Ge atoms.
DOI: 10.17188/1757774
title: Materials Data on LiMnP2(HO4)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1757775
title: Materials Data on LiBe2Os by Materials Project

description: LiBe2Os crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiBe2Os ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Be atoms. Both Li–Be bond lengths are 2.56 Å. Be is bonded in a linear geometry to one Li and one Os atom. The Be–Os bond length is 2.11 Å. Os is bonded in a linear geometry to two equivalent Be atoms.
DOI: 10.17188/1757776
title: Materials Data on Er3NF10 by Materials Project

description: (Er3F10)2N2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional and consists of four ammonia molecules and one Er3F10 framework. In the Er3F10 framework, there are six inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.18–2.38 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.18–2.34 Å. In the third Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.18–2.38 Å. In the fourth Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.18–2.38 Å. In the fifth Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.18–2.34 Å. In the sixth Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.18–2.35 Å. There are twenty inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the seventh F1- site, F1- is bonded in a trigonal non-coplanar geometry to three Er3+ atoms. In the eighth F1- site, F1- is bonded in a trigonal non-coplanar geometry to three Er3+ atoms. In the ninth F1- site, F1- is bonded in a trigonal non-coplanar geometry to three Er3+ atoms. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the eleventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the twelfth F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the thirteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the fourteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the fifteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the sixteenth F1- site, F1- is bonded in a trigonal non-coplanar geometry to three Er3+ atoms. In the seventeenth F1- site, F1- is bonded in a trigonal non-coplanar geometry to three Er3+ atoms. In the eighteenth F1- site, F1- is bonded in a trigonal non-coplanar geometry to three Er3+ atoms. In the nineteenth F1- site, F1- is bonded in a trigonal non-coplanar geometry to three Er3+ atoms. In the twentieth F1- site, F1- is bonded in a trigonal non-coplanar geometry to three Er3+ atoms.
DOI: 10.17188/1757777
title: Materials Data on Hf2VOs by Materials Project

description: Hf2VOs crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2VOs ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one V and one Os atom. The Hf–V bond length is 2.70 Å. The Hf–Os bond length is 2.30 Å. V is bonded in a linear geometry to two equivalent Hf atoms. Os is bonded in a linear geometry to two equivalent Hf atoms.
DOI: 10.17188/1757778
title: Materials Data on FeAu by Materials Project

description: AuFe crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Fe is bonded to six equivalent Au atoms to form a mixture of distorted corner and edge-sharing FeAu6 cuboctahedra. All Fe–Au bond lengths are 2.77 Å. Au is bonded to six equivalent Fe atoms to form a mixture of distorted corner and edge-sharing AuFe6 cuboctahedra.
DOI: 10.17188/1757779
title: Materials Data on Li3Co2NiO6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1757780
title: Materials Data on Sr3Er by Materials Project

description: Sr3Er is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to eight equivalent Sr and four equivalent Er atoms to form distorted SrSr8Er4 cuboctahedra that share corners with four equivalent ErSr12 cuboctahedra, corners with fourteen equivalent SrSr8Er4 cuboctahedra, edges with six equivalent ErSr12 cuboctahedra, edges with twelve equivalent SrSr8Er4 cuboctahedra, faces with four equivalent ErSr12 cuboctahedra, and faces with sixteen equivalent SrSr8Er4 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 3.93–4.17 Å. There are two shorter (3.99 Å) and two longer (4.05 Å) Sr–Er bond lengths. Er is bonded to twelve equivalent Sr atoms to form ErSr12 cuboctahedra that share corners with six equivalent ErSr12 cuboctahedra, corners with twelve equivalent SrSr8Er4 cuboctahedra, edges with eighteen equivalent SrSr8Er4 cuboctahedra, faces with eight equivalent ErSr12 cuboctahedra, and faces with twelve equivalent SrSr8Er4 cuboctahedra.
DOI: 10.17188/1757781
title: Materials Data on Ga2Au by Materials Project

description: AuGa2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Au is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Au–Ga bond distances ranging from 2.60–2.90 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to four equivalent Au atoms. In the second Ga site, Ga is bonded in a 5-coordinate geometry to five equivalent Au atoms.
DOI: 10.17188/1757782
title: Materials Data on Li4Cr3NiO8 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1757784
title: Materials Data on AlBiN2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1757785
title: Materials Data on Ta3Pt by Materials Project

description: Ta3Pt is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to four equivalent Ta and four equivalent Pt atoms to form a mixture of distorted corner, edge, and face-sharing TaTa4Pt4 tetrahedra. All Ta–Ta bond lengths are 2.83 Å. All Ta–Pt bond lengths are 2.83 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Pt atoms. All Ta–Pt bond lengths are 3.27 Å. Pt is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms.
DOI: 10.17188/1757786
title: Materials Data on Ca2CrO4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1757787
title: Materials Data on Cs3CoCl5 by Materials Project

description: Cs3CoCl5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are two shorter (3.65 Å) and eight longer (3.93 Å) Cs–Cl bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.49–3.68 Å. Co2+ is bonded in a tetrahedral geometry to four equivalent Cl1- atoms. All Co–Cl bond lengths are 2.26 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to six Cs1+ atoms to form corner-sharing ClCs6 octahedra. The corner-sharing octahedra tilt angles range from 0–36°. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five Cs1+ and one Co2+ atom.
DOI: 10.17188/1757789
title: Materials Data on KSbO3 by Materials Project

description: KSbO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.60–2.99 Å. Sb5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 1.89–2.42 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three equivalent K1+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, two equivalent Sb5+, and one O2- atom. The O–O bond length is 1.46 Å.
DOI: 10.17188/1757790
title: Materials Data on Yb2CuGe6 by Materials Project

description: Yb2CuGe6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Yb is bonded to two equivalent Cu and ten Ge atoms to form a mixture of distorted edge, face, and corner-sharing YbCu2Ge10 cuboctahedra. There are one shorter (3.17 Å) and one longer (3.19 Å) Yb–Cu bond lengths. There are a spread of Yb–Ge bond distances ranging from 3.00–3.35 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Yb and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.43–2.52 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Yb, one Cu, and three Ge atoms. There are one shorter (2.54 Å) and two longer (2.58 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Yb, one Cu, and three Ge atoms. There are one shorter (2.54 Å) and two longer (2.58 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Yb and two Ge atoms. There are one shorter (2.52 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Yb, one Cu, and two Ge atoms. The Ge–Ge bond length is 2.47 Å. In the fifth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Yb, one Cu, and three Ge atoms. The Ge–Ge bond length is 2.52 Å.