cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1710544
title: Materials Data on Sr2Cu(HO)6 by Materials Project

description: Sr2Cu(OH)6 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Sr2Cu(OH)6 sheet oriented in the (1, 0, 0) direction. Sr2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.60 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.98 Å) and two longer (1.99 Å) Cu–O bond length. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+, one Cu2+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+, one Cu2+, and one H1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Sr2+ and one H1+ atom.
DOI: 10.17188/1710545
title: Materials Data on Sr3Cu2(OF)4 by Materials Project

description: Sr3Cu2(OF)4 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to eight O2- and four equivalent F1- atoms to form SrO8F4 cuboctahedra that share corners with four equivalent SrO8F4 cuboctahedra, faces with four equivalent SrO8F4 cuboctahedra, and faces with eight equivalent CuO4F2 octahedra. There are four shorter (2.76 Å) and four longer (2.87 Å) Sr–O bond lengths. All Sr–F bond lengths are 2.69 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted q6 geometry to four O2- and six F1- atoms. There are two shorter (2.68 Å) and two longer (2.78 Å) Sr–O bond lengths. There are two shorter (2.63 Å) and four longer (2.70 Å) Sr–F bond lengths. Cu3+ is bonded to four O2- and two F1- atoms to form CuO4F2 octahedra that share corners with five equivalent CuO4F2 octahedra and faces with four equivalent SrO8F4 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–6°. All Cu–O bond lengths are 1.91 Å. There are one shorter (2.07 Å) and one longer (2.10 Å) Cu–F bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Sr2+ and two equivalent Cu3+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four Sr2+ and two equivalent Cu3+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Sr2+ and two equivalent Cu3+ atoms to form a mixture of distorted edge and corner-sharing FSr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent Sr2+ and one Cu3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to four equivalent Sr2+ atoms.
DOI: 10.17188/1710546
title: Materials Data on PrErCo17 by Materials Project

description: ErPrCo17 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to nineteen Co atoms. There are a spread of Er–Co bond distances ranging from 2.97–3.20 Å. Pr is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Pr–Co bond distances ranging from 2.99–3.27 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded to one Er, one Pr, and ten Co atoms to form a mixture of distorted edge, face, and corner-sharing CoPrErCo10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.36–2.67 Å. In the second Co site, Co is bonded to one Er, two equivalent Pr, and nine Co atoms to form a mixture of edge, face, and corner-sharing CoPr2ErCo9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.42–2.61 Å. In the third Co site, Co is bonded to two equivalent Er, one Pr, and nine Co atoms to form a mixture of edge, face, and corner-sharing CoPrEr2Co9 cuboctahedra. There are two shorter (2.39 Å) and one longer (2.57 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to one Er, one Pr, and ten Co atoms to form distorted CoPrErCo10 cuboctahedra that share corners with twenty-two CoPrErCo10 cuboctahedra, edges with ten CoPr2ErCo9 cuboctahedra, and faces with eighteen CoPrErCo10 cuboctahedra. There are one shorter (2.54 Å) and one longer (2.58 Å) Co–Co bond lengths. In the fifth Co site, Co is bonded in a 2-coordinate geometry to one Er and thirteen Co atoms. The Co–Co bond length is 2.34 Å. In the sixth Co site, Co is bonded in a 2-coordinate geometry to one Pr and thirteen Co atoms.
DOI: 10.17188/1710548
title: Materials Data on BaCa3 by Materials Project

description: BaCa3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded to twelve Ca atoms to form BaCa12 cuboctahedra that share corners with four equivalent BaCa12 cuboctahedra, corners with eight equivalent CaBa4Ca8 cuboctahedra, edges with eight equivalent BaCa12 cuboctahedra, edges with sixteen equivalent CaBa4Ca8 cuboctahedra, faces with four equivalent BaCa12 cuboctahedra, and faces with fourteen CaBa4Ca8 cuboctahedra. There are eight shorter (4.02 Å) and four longer (4.16 Å) Ba–Ca bond lengths. There are two inequivalent Ca sites. In the first Ca site, Ca is bonded to four equivalent Ba and eight Ca atoms to form distorted CaBa4Ca8 cuboctahedra that share corners with twelve equivalent CaBa4Ca8 cuboctahedra, edges with eight equivalent BaCa12 cuboctahedra, edges with sixteen CaBa4Ca8 cuboctahedra, faces with four equivalent BaCa12 cuboctahedra, and faces with fourteen CaBa4Ca8 cuboctahedra. There are four shorter (4.02 Å) and four longer (4.16 Å) Ca–Ca bond lengths. In the second Ca site, Ca is bonded to four equivalent Ba and eight equivalent Ca atoms to form CaBa4Ca8 cuboctahedra that share corners with four equivalent CaBa4Ca8 cuboctahedra, corners with eight equivalent BaCa12 cuboctahedra, edges with twenty-four CaBa4Ca8 cuboctahedra, faces with six equivalent BaCa12 cuboctahedra, and faces with twelve CaBa4Ca8 cuboctahedra.
DOI: 10.17188/1710549
title: Materials Data on CaSi4SnO10 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: 10.17188/1710550
title: Materials Data on GdPS by Materials Project

description: GdPS crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (3.13 Å) and two longer (3.15 Å) Gd–P bond lengths. There are a spread of Gd–S bond distances ranging from 2.79–2.92 Å. In the second Gd3+ site, Gd3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (2.93 Å) and two longer (3.12 Å) Gd–P bond lengths. There are a spread of Gd–S bond distances ranging from 2.77–2.87 Å. P1- is bonded in a distorted hexagonal planar geometry to four Gd3+ and two equivalent P1- atoms. There are one shorter (2.24 Å) and one longer (2.27 Å) P–P bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd5 trigonal bipyramids. In the second S2- site, S2- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd5 trigonal bipyramids.
DOI: 10.17188/1710552
title: Materials Data on PmYIn2 by Materials Project

description: PmYIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Pm–In bond lengths are 3.31 Å. Y is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Y–In bond lengths are 3.31 Å. In is bonded in a body-centered cubic geometry to four equivalent Pm and four equivalent Y atoms.
DOI: 10.17188/1710553
title: Materials Data on Mn(CN)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: 10.17188/1710554
title: Materials Data on Nb2SiSb2 by Materials Project

description: Nb2SiSb2 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one Nb2SiSb2 sheet oriented in the (0, 0, 1) direction. Nb5+ is bonded in a linear geometry to one Si4- and one Sb3- atom. The Nb–Si bond length is 2.51 Å. The Nb–Sb bond length is 2.91 Å. Si4- is bonded in a linear geometry to two equivalent Nb5+ atoms. Sb3- is bonded to one Nb5+ and four equivalent Sb3- atoms to form a mixture of distorted corner and edge-sharing SbNbSb4 square pyramids. All Sb–Sb bond lengths are 2.87 Å.
DOI: 10.17188/1710555
title: Materials Data on LiEu(WO4)2 by Materials Project

description: LiEuW2O8 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.45 Å) and four longer (2.50 Å) Li–O bond lengths. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.43 Å) and four longer (2.48 Å) Eu–O bond lengths. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All W–O bond lengths are 1.83 Å. In the second W6+ site, W6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All W–O bond lengths are 1.83 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Eu3+, and one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Eu3+, and one W6+ atom.
DOI: 10.17188/1710556
title: Materials Data on CsCaP3(HO5)2 by Materials Project

description: CsCaP3(HO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 1-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.13–3.47 Å. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with five PO4 tetrahedra. There are a spread of Ca–O bond distances ranging from 2.28–2.45 Å. There are three 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 CaO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of P–O bond distances ranging from 1.50–1.64 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CaO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 31–45°. There are a spread of P–O bond distances ranging from 1.49–1.63 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CaO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 40–46°. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Ca2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Cs1+, one Ca2+, and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+ and two P5+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Ca2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+ and two P5+ atoms. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Ca2+, and one P5+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one P5+ atom.
DOI: 10.17188/1710557
title: Materials Data on PrCrSb3 by Materials Project

description: PrCrSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine Sb3- atoms. There are a spread of Pr–Sb bond distances ranging from 3.28–3.37 Å. Cr6+ is bonded to six Sb3- atoms to form a mixture of corner, edge, and face-sharing CrSb6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Cr–Sb bond distances ranging from 2.69–2.74 Å. There are three inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent Sb3- atoms. There are two shorter (3.05 Å) and two longer (3.12 Å) Sb–Sb bond lengths. In the second Sb3- site, Sb3- is bonded in a 5-coordinate geometry to one Pr3+ and four equivalent Cr6+ atoms. In the third Sb3- site, Sb3- is bonded in a 7-coordinate geometry to four equivalent Pr3+ and two equivalent Cr6+ atoms.
DOI: 10.17188/1710558
title: Materials Data on VAgO3 by Materials Project

description: AgVO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.69–1.87 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.69–1.85 Å. In the third V5+ site, V5+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.69–2.39 Å. In the fourth V5+ site, V5+ is bonded to five O2- atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent VO4 tetrahedra and an edgeedge with one VO5 trigonal bipyramid. There are a spread of V–O bond distances ranging from 1.68–1.98 Å. There are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.36–2.92 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.13–2.42 Å. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.30–2.58 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.13–2.47 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two V5+ and two Ag1+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two Ag1+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Ag1+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and two Ag1+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to two equivalent V5+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent V5+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two V5+ and one Ag1+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Ag1+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to two V5+ and one Ag1+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two V5+ and one Ag1+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and two Ag1+ atoms. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two Ag1+ atoms.
DOI: 10.17188/1710559
title: Materials Data on ErZnNi by Materials Project

description: ErNiZn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Ni and six equivalent Zn atoms. There are four shorter (2.81 Å) and one longer (2.89 Å) Er–Ni bond lengths. There are two shorter (3.04 Å) and four longer (3.13 Å) Er–Zn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Zn atoms. All Ni–Zn bond lengths are 2.51 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Zn atoms. All Ni–Zn bond lengths are 2.71 Å. Zn is bonded in a 12-coordinate geometry to six equivalent Er, four Ni, and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.93 Å.
DOI: 10.17188/1710560
title: Materials Data on LiCo3(OF3)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: 10.17188/1710561
title: Materials Data on SmNbO2 by Materials Project

description: SmNbO2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Sm2+ is bonded to six equivalent O2- atoms to form edge-sharing SmO6 octahedra. There are a spread of Sm–O bond distances ranging from 2.38–2.43 Å. Nb2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Nb–O bond lengths are 2.19 Å. O2- is bonded to three equivalent Sm2+ and two equivalent Nb2+ atoms to form a mixture of distorted edge and corner-sharing OSm3Nb2 trigonal bipyramids.
DOI: 10.17188/1710562
title: Materials Data on Li4FeO3 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: 10.17188/1710563
title: Materials Data on LiV4(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: 10.17188/1710564
title: Materials Data on CoBi6(SO8)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: 10.17188/1710566
title: Materials Data on La2Ga5Cu3 by Materials Project

description: La2Cu3Ga5 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to six Cu and ten Ga atoms. There are four shorter (3.33 Å) and two longer (3.37 Å) La–Cu bond lengths. There are a spread of La–Ga bond distances ranging from 3.30–3.37 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ga atoms. All Cu–Ga bond lengths are 2.49 Å. In the second Cu site, Cu is bonded to four equivalent La and eight Ga atoms to form distorted CuLa4Ga8 cuboctahedra that share corners with four equivalent CuLa4Ga8 cuboctahedra, faces with four equivalent CuLa4Ga8 cuboctahedra, and faces with four equivalent GaLa4Ga4Cu4 cuboctahedra. There are four shorter (2.55 Å) and four longer (3.06 Å) Cu–Ga bond lengths. In the third Cu site, Cu is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ga atoms. All Cu–Ga bond lengths are 2.49 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent La, two equivalent Cu, and three Ga atoms. There are one shorter (2.54 Å) and two longer (2.55 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent La, four Cu, and one Ga atom. In the third Ga site, Ga is bonded to four equivalent La, four equivalent Cu, and four equivalent Ga atoms to form GaLa4Ga4Cu4 cuboctahedra that share corners with four equivalent GaLa4Ga4Cu4 cuboctahedra, faces with four equivalent CuLa4Ga8 cuboctahedra, and faces with four equivalent GaLa4Ga4Cu4 cuboctahedra.
DOI: 10.17188/1710567
title: Materials Data on Rb2(TeO4)3 by Materials Project

description: Rb2(TeO4)3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb is bonded to six O atoms to form distorted RbO6 octahedra that share corners with nine equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 64–72°. There are three shorter (3.08 Å) and three longer (3.43 Å) Rb–O bond lengths. Te is bonded to six O atoms to form TeO6 octahedra that share corners with four equivalent TeO6 octahedra and corners with six equivalent RbO6 octahedra. The corner-sharing octahedra tilt angles range from 53–72°. There is two shorter (1.92 Å) and four longer (1.99 Å) Te–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Rb and one Te atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one Rb and two equivalent Te atoms.
DOI: 10.17188/1710569
title: Materials Data on LiAlGeO5 by Materials Project

description: LiAlGeO5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with three equivalent AlO4 tetrahedra and corners with three equivalent GeO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.07 Å. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra and corners with four equivalent GeO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.79 Å. Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra and corners with four equivalent AlO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.75–1.79 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Al and one Ge atom. In the second O site, O is bonded in a trigonal planar geometry to one Li, one Al, and one Ge atom. In the third O site, O is bonded in a trigonal planar geometry to one Li, one Al, and one Ge atom. In the fourth O site, O is bonded in a trigonal planar geometry to one Li, one Al, and one Ge atom. In the fifth O site, O is bonded in a single-bond geometry to one Li atom.