cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1273945
title: Materials Data on LuOs2 by Materials Project

description: LuOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu3+ is bonded in a 12-coordinate geometry to twelve Os+1.50- atoms. There are nine shorter (3.11 Å) and three longer (3.12 Å) Lu–Os bond lengths. There are two inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded to six equivalent Lu3+ and six equivalent Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsLu6Os6 cuboctahedra. All Os–Os bond lengths are 2.70 Å. In the second Os+1.50- site, Os+1.50- is bonded to six equivalent Lu3+ and six Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsLu6Os6 cuboctahedra. There are two shorter (2.55 Å) and two longer (2.75 Å) Os–Os bond lengths.
DOI: 10.17188/1273946
title: Materials Data on KBH4(CN4)2 by Materials Project

description: KBH4(CN4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to six N2- and one H1+ atom. There are a spread of K–N bond distances ranging from 2.89–3.31 Å. The K–H bond length is 3.04 Å. B3+ is bonded in a tetrahedral geometry to two N2- and two H1+ atoms. Both B–N bond lengths are 1.56 Å. Both B–H bond lengths are 1.21 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to two N2- and one H1+ atom. There is one shorter (1.33 Å) and one longer (1.34 Å) C–N bond length. The C–H bond length is 1.09 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to two N2- and one H1+ atom. There is one shorter (1.33 Å) and one longer (1.34 Å) C–N bond length. The C–H bond length is 1.09 Å. There are eight inequivalent N2- sites. In the first N2- site, N2- is bonded in a distorted trigonal non-coplanar geometry to one K1+ and two N2- atoms. There is one shorter (1.31 Å) and one longer (1.35 Å) N–N bond length. In the second N2- site, N2- is bonded in a trigonal planar geometry to one K1+ and two N2- atoms. The N–N bond length is 1.36 Å. In the third N2- site, N2- is bonded in a distorted trigonal planar geometry to one K1+ and two N2- atoms. There is one shorter (1.30 Å) and one longer (1.36 Å) N–N bond length. In the fourth N2- site, N2- is bonded in a 3-coordinate geometry to one B3+, one C4+, and one N2- atom. The N–N bond length is 1.35 Å. In the fifth N2- site, N2- is bonded in a distorted single-bond geometry to two equivalent K1+, one C4+, and one N2- atom. In the sixth N2- site, N2- is bonded in a water-like geometry to two N2- atoms. In the seventh N2- site, N2- is bonded in a distorted single-bond geometry to one K1+, one C4+, and one N2- atom. In the eighth N2- site, N2- is bonded in a 3-coordinate geometry to one B3+, one C4+, and one N2- atom. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one B3+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C4+ atom.
DOI: 10.17188/1273947
title: Materials Data on Cs2HgI4 by Materials Project

description: Cs2HgI4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Cs–I bond distances ranging from 4.01–4.44 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Cs–I bond distances ranging from 3.86–4.60 Å. Hg2+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Hg–I bond distances ranging from 2.83–2.90 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to four Cs1+ and one Hg2+ atom. In the second I1- site, I1- is bonded in a 5-coordinate geometry to four Cs1+ and one Hg2+ atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to five Cs1+ and one Hg2+ atom. In the fourth I1- site, I1- is bonded in a 1-coordinate geometry to four Cs1+ and one Hg2+ atom.
DOI: 10.17188/1273948
title: Materials Data on In6Se7 by Materials Project

description: In6Se7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are six inequivalent In+2.33+ sites. In the first In+2.33+ site, In+2.33+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of In–Se bond distances ranging from 3.19–3.49 Å. In the second In+2.33+ site, In+2.33+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedra tilt angles range from 2–3°. There are a spread of In–Se bond distances ranging from 2.70–2.97 Å. In the third In+2.33+ site, In+2.33+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedra tilt angles range from 2–3°. There are a spread of In–Se bond distances ranging from 2.72–3.01 Å. In the fourth In+2.33+ site, In+2.33+ is bonded to six Se2- atoms to form edge-sharing InSe6 octahedra. There are a spread of In–Se bond distances ranging from 2.77–2.86 Å. In the fifth In+2.33+ site, In+2.33+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of In–Se bond distances ranging from 2.68–2.75 Å. In the sixth In+2.33+ site, In+2.33+ is bonded in a distorted T-shaped geometry to three Se2- atoms. There are a spread of In–Se bond distances ranging from 2.71–2.78 Å. There are seven inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to five In+2.33+ atoms. In the second Se2- site, Se2- is bonded to five In+2.33+ atoms to form a mixture of distorted edge and corner-sharing SeIn5 square pyramids. In the third Se2- site, Se2- is bonded to five In+2.33+ atoms to form a mixture of distorted edge and corner-sharing SeIn5 trigonal bipyramids. In the fourth Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to five In+2.33+ atoms. In the fifth Se2- site, Se2- is bonded in a distorted T-shaped geometry to three In+2.33+ atoms. In the sixth Se2- site, Se2- is bonded in a 3-coordinate geometry to three In+2.33+ atoms. In the seventh Se2- site, Se2- is bonded to five In+2.33+ atoms to form a mixture of edge and corner-sharing SeIn5 square pyramids.
DOI: 10.17188/1273949
title: Materials Data on Bi by Materials Project

description: Bi is alpha Po structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Bi is bonded to six equivalent Bi atoms to form a mixture of edge and corner-sharing BiBi6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Bi bond lengths are 3.28 Å.
DOI: 10.17188/1273950
title: Materials Data on Dy7(TeIr)2 by Materials Project

description: Dy7Ir2Te2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to three equivalent Ir and one Te atom. There are two shorter (2.86 Å) and one longer (3.11 Å) Dy–Ir bond lengths. The Dy–Te bond length is 3.18 Å. In the second Dy site, Dy is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Te atoms. Both Dy–Ir bond lengths are 2.89 Å. Both Dy–Te bond lengths are 3.21 Å. In the third Dy site, Dy is bonded in a 3-coordinate geometry to three Te atoms. There are one shorter (3.17 Å) and two longer (3.18 Å) Dy–Te bond lengths. In the fourth Dy site, Dy is bonded in a 5-coordinate geometry to two equivalent Ir and three Te atoms. Both Dy–Ir bond lengths are 2.85 Å. There are one shorter (3.13 Å) and two longer (3.22 Å) Dy–Te bond lengths. Ir is bonded in a 7-coordinate geometry to seven Dy atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 8-coordinate geometry to eight Dy atoms. In the second Te site, Te is bonded in a 7-coordinate geometry to seven Dy atoms.
DOI: 10.17188/1273951
title: Materials Data on MnSbPt by Materials Project

description: PtMnSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn3+ is bonded to four equivalent Pt2- and six equivalent Sb1- atoms to form a mixture of distorted corner and face-sharing MnSb6Pt4 tetrahedra. All Mn–Pt bond lengths are 2.70 Å. All Mn–Sb bond lengths are 3.12 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Mn3+ and four equivalent Sb1- atoms. All Pt–Sb bond lengths are 2.70 Å. Sb1- is bonded in a 10-coordinate geometry to six equivalent Mn3+ and four equivalent Pt2- atoms.
DOI: 10.17188/1273952
title: Materials Data on Sm(SiAg)2 by Materials Project

description: Sm(AgSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded to eight equivalent Si4- atoms to form SmSi8 hexagonal bipyramids that share corners with sixteen equivalent AgSi4 tetrahedra, edges with four equivalent SmSi8 hexagonal bipyramids, edges with eight equivalent AgSi4 tetrahedra, and faces with four equivalent SmSi8 hexagonal bipyramids. All Sm–Si bond lengths are 3.20 Å. Ag+2.50+ is bonded to four equivalent Si4- atoms to form AgSi4 tetrahedra that share corners with eight equivalent SmSi8 hexagonal bipyramids, corners with four equivalent AgSi4 tetrahedra, edges with four equivalent SmSi8 hexagonal bipyramids, and edges with four equivalent AgSi4 tetrahedra. All Ag–Si bond lengths are 2.61 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sm3+, four equivalent Ag+2.50+, and one Si4- atom. The Si–Si bond length is 2.31 Å.
DOI: 10.17188/1273953
title: Materials Data on Sr4CN4 by Materials Project

description: Sr4CN4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Sr–N bond distances ranging from 2.56–2.87 Å. In the second Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Sr–N bond distances ranging from 2.52–2.71 Å. In the third Sr2+ site, Sr2+ is bonded to five N3- atoms to form distorted SrN5 square pyramids that share a cornercorner with one SrN6 octahedra, edges with two equivalent SrN6 octahedra, and edges with two equivalent SrN5 square pyramids. The corner-sharing octahedral tilt angles are 9°. There are a spread of Sr–N bond distances ranging from 2.49–3.03 Å. In the fourth Sr2+ site, Sr2+ is bonded to six N3- atoms to form SrN6 octahedra that share a cornercorner with one SrN5 square pyramid, edges with four equivalent SrN6 octahedra, and edges with two equivalent SrN5 square pyramids. There are a spread of Sr–N bond distances ranging from 2.69–2.88 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) C–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to four Sr2+ and one C4+ atom. In the second N3- site, N3- is bonded to six Sr2+ atoms to form a mixture of edge and corner-sharing NSr6 octahedra. The corner-sharing octahedra tilt angles range from 6–52°. In the third N3- site, N3- is bonded to six Sr2+ atoms to form a mixture of edge and corner-sharing NSr6 octahedra. The corner-sharing octahedra tilt angles range from 6–52°. In the fourth N3- site, N3- is bonded in a 1-coordinate geometry to four Sr2+ and one C4+ atom.
DOI: 10.17188/1273954
title: Materials Data on Yb2Co12P7 by Materials Project

description: Yb2Co12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded to six equivalent P3- atoms to form distorted YbP6 pentagonal pyramids that share corners with twelve CoP4 tetrahedra, corners with six equivalent CoP5 trigonal bipyramids, edges with nine CoP4 tetrahedra, edges with three equivalent CoP5 trigonal bipyramids, and faces with two equivalent YbP6 pentagonal pyramids. All Yb–P bond lengths are 2.82 Å. In the second Yb2+ site, Yb2+ is bonded to six equivalent P3- atoms to form distorted YbP6 pentagonal pyramids that share corners with twelve CoP4 tetrahedra, corners with six equivalent CoP5 trigonal bipyramids, edges with twelve CoP4 tetrahedra, and faces with two equivalent YbP6 pentagonal pyramids. All Yb–P bond lengths are 2.84 Å. There are four inequivalent Co+1.42+ sites. In the first Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with four YbP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, corners with two equivalent CoP5 trigonal bipyramids, an edgeedge with one YbP6 pentagonal pyramid, edges with three CoP4 tetrahedra, and edges with four equivalent CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.13–2.26 Å. In the second Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent YbP6 pentagonal pyramids, corners with twelve CoP4 tetrahedra, corners with two equivalent CoP5 trigonal bipyramids, edges with three YbP6 pentagonal pyramids, edges with three CoP4 tetrahedra, and edges with two equivalent CoP5 trigonal bipyramids. There are two shorter (2.25 Å) and two longer (2.28 Å) Co–P bond lengths. In the third Co+1.42+ site, Co+1.42+ is bonded to five P3- atoms to form distorted CoP5 trigonal bipyramids that share corners with four YbP6 pentagonal pyramids, corners with eight CoP4 tetrahedra, corners with four equivalent CoP5 trigonal bipyramids, an edgeedge with one YbP6 pentagonal pyramid, edges with seven CoP4 tetrahedra, and edges with four equivalent CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.22–2.56 Å. In the fourth Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent YbP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, corners with four equivalent CoP5 trigonal bipyramids, edges with three YbP6 pentagonal pyramids, edges with four CoP4 tetrahedra, and an edgeedge with one CoP5 trigonal bipyramid. There are a spread of Co–P bond distances ranging from 2.24–2.31 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Yb2+ and seven Co+1.42+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Yb2+ and seven Co+1.42+ atoms. In the third P3- site, P3- is bonded in a 3-coordinate geometry to nine Co+1.42+ atoms.
DOI: 10.17188/1273955
title: Materials Data on GeBr4 by Materials Project

description: GeBr4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four germanium tetrabromide molecules. Ge4+ is bonded in a tetrahedral geometry to four Br1- atoms. All Ge–Br bond lengths are 2.31 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom.
DOI: 10.17188/1273956
title: Materials Data on AlSn2P(H3C)8 by Materials Project

description: Al(CH3)2(Sn(CH3)3)2P crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 84840-89-1 molecules, two phosphine molecules, and four trimethyltin molecules.
DOI: 10.17188/1273957
title: Materials Data on ScOs2 by Materials Project

description: ScOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc3+ is bonded in a 12-coordinate geometry to twelve Os+1.50- atoms. There are a spread of Sc–Os bond distances ranging from 3.05–3.09 Å. There are two inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded to six equivalent Sc3+ and six equivalent Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsSc6Os6 cuboctahedra. All Os–Os bond lengths are 2.66 Å. In the second Os+1.50- site, Os+1.50- is bonded to six equivalent Sc3+ and six Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsSc6Os6 cuboctahedra. There are two shorter (2.51 Å) and two longer (2.70 Å) Os–Os bond lengths.
DOI: 10.17188/1273958
title: Materials Data on Tb2Co2I by Materials Project

description: Tb2Co2I crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded in a 9-coordinate geometry to six equivalent Co and three equivalent I atoms. There are three shorter (2.87 Å) and three longer (2.90 Å) Tb–Co bond lengths. All Tb–I bond lengths are 3.38 Å. Co is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Co atoms. All Co–Co bond lengths are 2.28 Å. I is bonded in a 6-coordinate geometry to six equivalent Tb atoms.
DOI: 10.17188/1273959
title: Materials Data on RhN2 by Materials Project

description: RhN2 is Spinel-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rh4+ is bonded to six N2- atoms to form RhN6 octahedra that share corners with eight equivalent RhN6 octahedra, corners with six NRh3N tetrahedra, and edges with two equivalent RhN6 octahedra. The corner-sharing octahedra tilt angles range from 68–70°. There are a spread of Rh–N bond distances ranging from 2.08–2.16 Å. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded to three equivalent Rh4+ and one N2- atom to form NRh3N tetrahedra that share corners with three equivalent RhN6 octahedra, corners with thirteen NRh3N tetrahedra, and an edgeedge with one NRh3N tetrahedra. The corner-sharing octahedra tilt angles range from 65–67°. The N–N bond length is 1.31 Å. In the second N2- site, N2- is bonded to three equivalent Rh4+ and one N2- atom to form NRh3N tetrahedra that share corners with three equivalent RhN6 octahedra, corners with thirteen NRh3N tetrahedra, and an edgeedge with one NRh3N tetrahedra. The corner-sharing octahedra tilt angles range from 63–64°.
DOI: 10.17188/1273960
title: Materials Data on Si5Pt12 by Materials Project

description: Pt12Si5 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are six inequivalent Pt+1.67- sites. In the first Pt+1.67- site, Pt+1.67- is bonded in a 4-coordinate geometry to four Si4+ atoms. There are a spread of Pt–Si bond distances ranging from 2.46–2.70 Å. In the second Pt+1.67- site, Pt+1.67- is bonded in a 3-coordinate geometry to three Si4+ atoms. There are a spread of Pt–Si bond distances ranging from 2.39–2.73 Å. In the third Pt+1.67- site, Pt+1.67- is bonded to four Si4+ atoms to form distorted corner-sharing PtSi4 tetrahedra. There are a spread of Pt–Si bond distances ranging from 2.47–2.62 Å. In the fourth Pt+1.67- site, Pt+1.67- is bonded in a 3-coordinate geometry to four Si4+ atoms. There are a spread of Pt–Si bond distances ranging from 2.45–3.10 Å. In the fifth Pt+1.67- site, Pt+1.67- is bonded in a 3-coordinate geometry to four Si4+ atoms. There are a spread of Pt–Si bond distances ranging from 2.41–2.98 Å. In the sixth Pt+1.67- site, Pt+1.67- is bonded in a distorted trigonal non-coplanar geometry to three Si4+ atoms. There are a spread of Pt–Si bond distances ranging from 2.42–2.56 Å. There are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a 10-coordinate geometry to ten Pt+1.67- atoms. In the second Si4+ site, Si4+ is bonded in a 8-coordinate geometry to eight Pt+1.67- atoms. In the third Si4+ site, Si4+ is bonded in a body-centered cubic geometry to eight Pt+1.67- atoms. In the fourth Si4+ site, Si4+ is bonded in a body-centered cubic geometry to eight Pt+1.67- atoms.
DOI: 10.17188/1273961
title: Materials Data on TlCoCl3 by Materials Project

description: TlCoCl3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Co2+ is bonded to six Cl1- atoms to form CoCl6 octahedra that share corners with six equivalent TlCl12 cuboctahedra, faces with six equivalent TlCl12 cuboctahedra, and faces with two equivalent CoCl6 octahedra. There are a spread of Co–Cl bond distances ranging from 2.41–2.44 Å. Tl1+ is bonded to twelve Cl1- atoms to form distorted TlCl12 cuboctahedra that share corners with six equivalent TlCl12 cuboctahedra, corners with six equivalent CoCl6 octahedra, faces with eight equivalent TlCl12 cuboctahedra, and faces with six equivalent CoCl6 octahedra. The corner-sharing octahedra tilt angles range from 13–20°. There are a spread of Tl–Cl bond distances ranging from 3.41–3.87 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Co2+ and four equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Co2+ and four equivalent Tl1+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Co2+ and four equivalent Tl1+ atoms.
DOI: 10.17188/1273962
title: Materials Data on Er3(CuGe)4 by Materials Project

description: Er3Cu4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (2.98 Å) and two longer (3.04 Å) Er–Cu bond lengths. There are two shorter (2.99 Å) and four longer (3.03 Å) Er–Ge bond lengths. In the second Er site, Er is bonded to six Ge atoms to form distorted edge-sharing ErGe6 octahedra. There are four shorter (2.92 Å) and two longer (2.99 Å) Er–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Er, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.55 Å. There are a spread of Cu–Ge bond distances ranging from 2.49–2.57 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Er, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three Er and six equivalent Cu atoms.