cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1743134
title: Materials Data on BaTe4O9 by Materials Project

description: BaTe4O9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.69–3.32 Å. There are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.35 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.21 Å. In the third Te4+ site, Te4+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.85 Å. In the fourth Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.85–2.35 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Te4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Ba2+ and two equivalent Te4+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Te4+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+ and two Te4+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ba2+ and three Te4+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ba2+ and one Te4+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one Te4+ atom.
DOI: 10.17188/1743135
title: Materials Data on La3UAl8 by Materials Project

description: ULa3Al8 is Hexagonal Laves-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to four La and twelve Al atoms. There are one shorter (3.45 Å) and three longer (3.47 Å) U–La bond lengths. There are a spread of U–Al bond distances ranging from 3.30–3.33 Å. There are three inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to four La and twelve Al atoms. There are three shorter (3.50 Å) and one longer (3.54 Å) La–La bond lengths. There are a spread of La–Al bond distances ranging from 3.33–3.38 Å. In the second La site, La is bonded in a 12-coordinate geometry to one U, three equivalent La, and twelve Al atoms. There are a spread of La–Al bond distances ranging from 3.33–3.43 Å. In the third La site, La is bonded in a 12-coordinate geometry to three equivalent U, one La, and twelve Al atoms. There are a spread of La–Al bond distances ranging from 3.28–3.34 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded to two equivalent U, four La, and six Al atoms to form a mixture of edge, face, and corner-sharing AlLa4U2Al6 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.81–2.89 Å. In the second Al site, Al is bonded to one U, five La, and six Al atoms to form a mixture of edge, face, and corner-sharing AlLa5UAl6 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.81–2.87 Å. In the third Al site, Al is bonded to three equivalent U, three equivalent La, and six Al atoms to form AlLa3U3Al6 cuboctahedra that share corners with eighteen AlLa4U2Al6 cuboctahedra, edges with six equivalent AlLa3U3Al6 cuboctahedra, and faces with eighteen AlLa4U2Al6 cuboctahedra. In the fourth Al site, Al is bonded to six La and six Al atoms to form AlLa6Al6 cuboctahedra that share corners with eighteen AlLa4U2Al6 cuboctahedra, edges with six equivalent AlLa6Al6 cuboctahedra, and faces with eighteen AlLa4U2Al6 cuboctahedra.
DOI: 10.17188/1743136
title: Materials Data on OsN5Cl3 by Materials Project

description: (OsN)2N2(N2Cl)2(NCl2)2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ammonia molecules, four azanylidyneosmium molecules, four dichloramine molecules, and four N2Cl clusters. In each N2Cl cluster, N+0.20+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.70 Å. Cl1- is bonded in a linear geometry to two equivalent N+0.20+ atoms.
DOI: 10.17188/1743137
title: Materials Data on H4C(N3O)2 by Materials Project

description: CN5O2NH4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 5-nitro-2h-tetrazole molecules and four ammonium molecules.
DOI: 10.17188/1743139
title: Materials Data on Sr5Re3BrO15 by Materials Project

description: Sr5Re3O15Br crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to eight O2- and one Br1- atom. There are a spread of Sr–O bond distances ranging from 2.61–3.16 Å. The Sr–Br bond length is 3.17 Å. In the second Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to nine O2- and one Br1- atom. There are a spread of Sr–O bond distances ranging from 2.61–3.12 Å. The Sr–Br bond length is 3.17 Å. In the third Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.76 Å. There are two inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There are a spread of Re–O bond distances ranging from 1.75–1.87 Å. In the second Re7+ site, Re7+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There are a spread of Re–O bond distances ranging from 1.77–1.86 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Re7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Sr2+ and one Re7+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Re7+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Re7+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Re7+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one Re7+ atom. In the seventh O2- site, O2- is bonded to three Sr2+ and one Re7+ atom to form a mixture of distorted edge and corner-sharing OSr3Re tetrahedra. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Re7+ atom. Br1- is bonded in a distorted trigonal non-coplanar geometry to three Sr2+ atoms.
DOI: 10.17188/1743140
title: Materials Data on Na3VAsCO7 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: 10.17188/1743141
title: Materials Data on LaAsO3 by Materials Project

description: LaAsO3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.54–2.92 Å. As3+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.79 Å) and two longer (1.81 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent La3+ and one As3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent La3+ and one As3+ atom.
DOI: 10.17188/1743142
title: Materials Data on Na4Fe2(PO4)3 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: 10.17188/1743143
title: Materials Data on H3CBr by Materials Project

description: CH3Br crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four bromomethane molecules. C2- is bonded in a distorted tetrahedral geometry to three H1+ and one Br1- atom. All C–H bond lengths are 1.09 Å. The C–Br bond length is 1.96 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. Br1- is bonded in a single-bond geometry to one C2- atom.
DOI: 10.17188/1743144
title: Materials Data on TiP2(S4Cl)2 by Materials Project

description: TiP2(S4Cl)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two TiP2(S4Cl)2 clusters. Ti4+ is bonded to four S+1.50- and two Cl1- atoms to form distorted TiS4Cl2 octahedra that share edges with two PS4 tetrahedra. There are a spread of Ti–S bond distances ranging from 2.51–2.59 Å. There are one shorter (2.24 Å) and one longer (2.25 Å) Ti–Cl bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four S+1.50- atoms to form PS4 tetrahedra that share a cornercorner with one PS4 tetrahedra and an edgeedge with one TiS4Cl2 octahedra. There are a spread of P–S bond distances ranging from 1.99–2.14 Å. In the second P5+ site, P5+ is bonded to four S+1.50- atoms to form PS4 tetrahedra that share a cornercorner with one PS4 tetrahedra and an edgeedge with one TiS4Cl2 octahedra. There are a spread of P–S bond distances ranging from 1.99–2.14 Å. There are eight inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a 1-coordinate geometry to one P5+ and one S+1.50- atom. The S–S bond length is 2.06 Å. In the second S+1.50- site, S+1.50- is bonded in a distorted L-shaped geometry to one Ti4+ and one P5+ atom. In the third S+1.50- site, S+1.50- is bonded in a distorted L-shaped geometry to one Ti4+ and one P5+ atom. In the fourth S+1.50- site, S+1.50- is bonded in a water-like geometry to two P5+ atoms. In the fifth S+1.50- site, S+1.50- is bonded in a distorted L-shaped geometry to one Ti4+ and one P5+ atom. In the sixth S+1.50- site, S+1.50- is bonded in a distorted L-shaped geometry to one Ti4+ and one P5+ atom. In the seventh S+1.50- site, S+1.50- is bonded in a 1-coordinate geometry to one P5+ and one S+1.50- atom. The S–S bond length is 2.06 Å. In the eighth S+1.50- site, S+1.50- is bonded in a 2-coordinate geometry to two S+1.50- atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom.
DOI: 10.17188/1743146
title: Materials Data on MgTi by Materials Project

description: MgTi is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to four Mg and seven Ti atoms. There are two shorter (3.00 Å) and two longer (3.09 Å) Mg–Mg bond lengths. There are a spread of Mg–Ti bond distances ranging from 2.98–3.10 Å. In the second Mg site, Mg is bonded to eight Mg and four Ti atoms to form a mixture of distorted face and edge-sharing MgMg8Ti4 cuboctahedra. There are two shorter (3.01 Å) and two longer (3.05 Å) Mg–Mg bond lengths. There are two shorter (3.09 Å) and two longer (3.41 Å) Mg–Ti bond lengths. In the third Mg site, Mg is bonded in a 12-coordinate geometry to four Mg and seven Ti atoms. There are a spread of Mg–Ti bond distances ranging from 2.92–3.12 Å. There are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 12-coordinate geometry to five Mg and seven Ti atoms. There are a spread of Ti–Ti bond distances ranging from 2.85–3.36 Å. In the second Ti site, Ti is bonded in a 12-coordinate geometry to six Mg and six Ti atoms. Both Ti–Ti bond lengths are 2.85 Å. In the third Ti site, Ti is bonded in a 10-coordinate geometry to ten Mg and two equivalent Ti atoms.
DOI: 10.17188/1743147
title: Materials Data on SrGa3Pd by Materials Project

description: SrPdGa3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded in a 6-coordinate geometry to five equivalent Pd and twelve Ga atoms. There are a spread of Sr–Pd bond distances ranging from 3.35–3.69 Å. There are a spread of Sr–Ga bond distances ranging from 3.21–3.49 Å. Pd is bonded in a 5-coordinate geometry to five equivalent Sr and five Ga atoms. There are one shorter (2.54 Å) and four longer (2.58 Å) Pd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Sr, one Pd, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.69 Å. In the second Ga site, Ga is bonded in a distorted L-shaped geometry to four equivalent Sr, two equivalent Pd, and two equivalent Ga atoms.
DOI: 10.17188/1743149
title: Materials Data on Al2NiOs by Materials Project

description: OsNiAl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Os is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Os–Al bond lengths are 2.57 Å. Ni is bonded in a distorted body-centered cubic geometry to eight equivalent Al atoms. All Ni–Al bond lengths are 2.57 Å. Al is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Ni atoms.
DOI: 10.17188/1743150
title: Materials Data on EuCuSi3 by Materials Project

description: EuCuSi3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Eu3+ is bonded to twelve Si+1.33- atoms to form distorted EuSi12 cuboctahedra that share corners with eight equivalent EuSi12 cuboctahedra, corners with eight equivalent CuSi4 tetrahedra, edges with four equivalent EuSi12 cuboctahedra, edges with four equivalent CuSi4 tetrahedra, and faces with four equivalent EuSi12 cuboctahedra. There are four shorter (3.19 Å) and eight longer (3.27 Å) Eu–Si bond lengths. Cu1+ is bonded to four equivalent Si+1.33- atoms to form distorted CuSi4 tetrahedra that share corners with eight equivalent EuSi12 cuboctahedra, corners with four equivalent CuSi4 tetrahedra, and edges with four equivalent EuSi12 cuboctahedra. All Cu–Si bond lengths are 2.45 Å. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to four equivalent Eu3+, two equivalent Cu1+, and three Si+1.33- atoms. There are one shorter (2.38 Å) and two longer (2.45 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to four equivalent Eu3+ and four equivalent Si+1.33- atoms.
DOI: 10.17188/1743151
title: Materials Data on KHo2Cl7 by Materials Project

description: KHo2Cl7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 2-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.16–3.78 Å. There are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to seven Cl1- atoms to form a mixture of distorted face and edge-sharing HoCl7 pentagonal bipyramids. There are a spread of Ho–Cl bond distances ranging from 2.69–2.78 Å. In the second Ho3+ site, Ho3+ is bonded to seven Cl1- atoms to form a mixture of distorted face and edge-sharing HoCl7 pentagonal bipyramids. There are a spread of Ho–Cl bond distances ranging from 2.68–2.73 Å. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one K1+ and two Ho3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one K1+ and two Ho3+ atoms. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one K1+ and two Ho3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Ho3+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one K1+ and two Ho3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a distorted water-like geometry to one K1+ and two Ho3+ atoms. In the seventh Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one K1+ and two Ho3+ atoms.
DOI: 10.17188/1743152
title: Materials Data on ZrSn by Materials Project

description: ZrSn crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to one Zr and six Sn atoms. The Zr–Zr bond length is 3.30 Å. There are a spread of Zr–Sn bond distances ranging from 3.00–3.24 Å. In the second Zr site, Zr is bonded in a 12-coordinate geometry to five Zr and seven Sn atoms. There are two shorter (3.11 Å) and two longer (3.14 Å) Zr–Zr bond lengths. There are a spread of Zr–Sn bond distances ranging from 3.07–3.43 Å. In the third Zr site, Zr is bonded in a 5-coordinate geometry to two equivalent Zr and five Sn atoms. There are a spread of Zr–Sn bond distances ranging from 3.01–3.07 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to four Zr and seven Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.23–3.42 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to seven Zr and two equivalent Sn atoms. In the third Sn site, Sn is bonded in a 7-coordinate geometry to seven Zr and three equivalent Sn atoms.
DOI: 10.17188/1743153
title: Materials Data on Nb2FeMo by Materials Project

description: Nb2MoFe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Nb2MoFe ribbons oriented in the (1, 0, 0) direction. Nb is bonded in a linear geometry to one Mo and one Fe atom. The Nb–Mo bond length is 2.26 Å. The Nb–Fe bond length is 2.19 Å. Mo is bonded in a linear geometry to two equivalent Nb atoms. Fe is bonded in a linear geometry to two equivalent Nb atoms.
DOI: 10.17188/1743155
title: Materials Data on Li4Ni(PO4)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: 10.17188/1743156
title: Materials Data on Mn2CdN2 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: 10.17188/1743157
title: Materials Data on MgCd by Materials Project

description: MgCd crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to six equivalent Cd atoms. All Mg–Cd bond lengths are 3.04 Å. Cd is bonded in a 12-coordinate geometry to six equivalent Mg atoms.
DOI: 10.17188/1743159
title: Materials Data on LiP4WO12 by Materials Project

description: LiWP4O12 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with six PO4 tetrahedra and edges with two equivalent WO6 octahedra. There are a spread of Li–O bond distances ranging from 1.97–2.49 Å. W3+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six PO4 tetrahedra and edges with two equivalent LiO6 octahedra. There are a spread of W–O bond distances ranging from 2.14–2.17 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 LiO6 octahedra, corners with two equivalent WO6 octahedra, and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–55°. There are a spread of P–O bond distances ranging from 1.48–1.60 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one WO6 octahedra, corners with two equivalent LiO6 octahedra, and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 24–59°. There are a spread of P–O bond distances ranging from 1.47–1.63 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one W3+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, one W3+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P5+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one W3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms.
DOI: 10.17188/1743160
title: Materials Data on Ce12Sn5Ge3 by Materials Project

description: Ce12Sn5Ge3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded to two equivalent Sn and three equivalent Ge atoms to form a mixture of distorted corner and edge-sharing CeSn2Ge3 trigonal bipyramids. Both Ce–Sn bond lengths are 3.24 Å. There are two shorter (3.44 Å) and one longer (3.59 Å) Ce–Ge bond lengths. In the second Ce site, Ce is bonded in a 4-coordinate geometry to four equivalent Sn and two equivalent Ge atoms. There are two shorter (3.08 Å) and two longer (3.85 Å) Ce–Sn bond lengths. Both Ce–Ge bond lengths are 3.06 Å. In the third Ce site, Ce is bonded in a 6-coordinate geometry to four Sn and two Ge atoms. There are three shorter (3.30 Å) and one longer (3.37 Å) Ce–Sn bond lengths. There are one shorter (3.09 Å) and one longer (3.12 Å) Ce–Ge bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a body-centered cubic geometry to eight equivalent Ce atoms. In the second Sn site, Sn is bonded in a 10-coordinate geometry to nine Ce and one Sn atom. The Sn–Sn bond length is 2.98 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight equivalent Ce atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Ce atoms.