cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1187755
title: Materials Data on CaAl9Co2 by Materials Project

description: CaCo2Al9 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Al atoms to form face-sharing CaAl12 cuboctahedra. All Ca–Al bond lengths are 3.49 Å. Co is bonded in a 9-coordinate geometry to nine Al atoms. There are three shorter (2.28 Å) and six longer (2.54 Å) Co–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a linear geometry to two equivalent Co atoms. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ca and two equivalent Co atoms.
DOI: 10.17188/1187756
title: Materials Data on CeAlNi by Materials Project

description: CeNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 5-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.88 Å) and one longer (2.92 Å) Ce–Ni bond lengths. There are two shorter (3.11 Å) and four longer (3.24 Å) Ce–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Al atoms. All Ni–Al bond lengths are 2.58 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Al atoms. All Ni–Al bond lengths are 2.71 Å. Al is bonded in a 12-coordinate geometry to six equivalent Ce, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.77 Å.
DOI: 10.17188/1187757
title: Materials Data on PrAl5Ni2 by Materials Project

description: PrNi2Al5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Ni and fourteen Al atoms. All Pr–Ni bond lengths are 3.22 Å. There are a spread of Pr–Al bond distances ranging from 3.33–3.55 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Pr and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.29–2.52 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a linear geometry to two equivalent Pr and two equivalent Ni atoms. In the second Al site, Al is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pr and three equivalent Ni atoms.
DOI: 10.17188/1187758
title: Materials Data on La3Co2Sn7 by Materials Project

description: La3Co2Sn7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to two equivalent Co and twelve Sn atoms. Both La–Co bond lengths are 3.53 Å. There are four shorter (3.29 Å) and eight longer (3.42 Å) La–Sn bond lengths. In the second La site, La is bonded in a 10-coordinate geometry to four equivalent Co and ten Sn atoms. All La–Co bond lengths are 3.65 Å. There are a spread of La–Sn bond distances ranging from 3.41–3.58 Å. Co is bonded in a 5-coordinate geometry to five La and five Sn atoms. There are one shorter (2.50 Å) and four longer (2.54 Å) Co–Sn bond lengths. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to six equivalent La, one Co, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.95 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four La and two equivalent Co atoms. In the third Sn site, Sn is bonded in a square co-planar geometry to four equivalent La atoms. In the fourth Sn site, Sn is bonded in a 12-coordinate geometry to four La and two equivalent Co atoms.
DOI: 10.17188/1187759
title: Materials Data on TaCo3 by Materials Project

description: Co3Ta is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta is bonded to twelve equivalent Co atoms to form TaCo12 cuboctahedra that share corners with twelve equivalent TaCo12 cuboctahedra, edges with twenty-four equivalent CoTa4Co8 cuboctahedra, faces with six equivalent TaCo12 cuboctahedra, and faces with twelve equivalent CoTa4Co8 cuboctahedra. All Ta–Co bond lengths are 2.57 Å. Co is bonded to four equivalent Ta and eight equivalent Co atoms to form CoTa4Co8 cuboctahedra that share corners with twelve equivalent CoTa4Co8 cuboctahedra, edges with eight equivalent TaCo12 cuboctahedra, edges with sixteen equivalent CoTa4Co8 cuboctahedra, faces with four equivalent TaCo12 cuboctahedra, and faces with fourteen equivalent CoTa4Co8 cuboctahedra. All Co–Co bond lengths are 2.57 Å.
DOI: 10.17188/1187760
title: Materials Data on Ga2Cu by Materials Project

description: CuGa2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cu is bonded in a distorted body-centered cubic geometry to eight equivalent Ga atoms. All Cu–Ga bond lengths are 2.62 Å. Ga is bonded in a 9-coordinate geometry to four equivalent Cu and five equivalent Ga atoms. There are one shorter (2.54 Å) and four longer (2.84 Å) Ga–Ga bond lengths.
DOI: 10.17188/1187761
title: Materials Data on Na3As by Materials Project

description: Na3As is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four equivalent As3- atoms. There are one shorter (2.99 Å) and three longer (3.32 Å) Na–As bond lengths. In the second Na1+ site, Na1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Na–As bond lengths are 2.94 Å. As3- is bonded in a 5-coordinate geometry to eleven Na1+ atoms.
DOI: 10.17188/1187762
title: Materials Data on ScGaCu2 by Materials Project

description: ScCu2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted body-centered cubic geometry to eight equivalent Cu and six equivalent Ga atoms. All Sc–Cu bond lengths are 2.68 Å. All Sc–Ga bond lengths are 3.09 Å. Cu is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent Ga atoms. All Cu–Ga bond lengths are 2.68 Å. Ga is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Cu atoms.
DOI: 10.17188/1187763
title: Materials Data on MgCuSn by Materials Project

description: MgCuSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four equivalent Cu and six equivalent Sn atoms. All Mg–Cu bond lengths are 2.70 Å. All Mg–Sn bond lengths are 3.12 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.70 Å. Sn is bonded in a distorted q6 geometry to six equivalent Mg and four equivalent Cu atoms.
DOI: 10.17188/1187764
title: Materials Data on TbCu5 by Materials Project

description: TbCu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded in a distorted hexagonal planar geometry to eighteen Cu atoms. There are six shorter (2.89 Å) and twelve longer (3.24 Å) Tb–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Tb and eight Cu atoms to form a mixture of edge, corner, and face-sharing CuTb4Cu8 cuboctahedra. There are four shorter (2.50 Å) and four longer (2.52 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Tb and nine Cu atoms. All Cu–Cu bond lengths are 2.89 Å.
DOI: 10.17188/1187765
title: Materials Data on TiCu by Materials Project

description: TiCu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Ti–Cu bond lengths are 2.66 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1187766
title: Materials Data on Ti3Cu by Materials Project

description: CuTi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Cu atoms to form TiTi8Cu4 cuboctahedra that share corners with twelve equivalent TiTi8Cu4 cuboctahedra, edges with eight equivalent CuTi12 cuboctahedra, edges with sixteen equivalent TiTi8Cu4 cuboctahedra, faces with four equivalent CuTi12 cuboctahedra, and faces with fourteen equivalent TiTi8Cu4 cuboctahedra. All Ti–Ti bond lengths are 2.81 Å. All Ti–Cu bond lengths are 2.81 Å. Cu is bonded to twelve equivalent Ti atoms to form CuTi12 cuboctahedra that share corners with twelve equivalent CuTi12 cuboctahedra, edges with twenty-four equivalent TiTi8Cu4 cuboctahedra, faces with six equivalent CuTi12 cuboctahedra, and faces with twelve equivalent TiTi8Cu4 cuboctahedra.
DOI: 10.17188/1187767
title: Materials Data on ZrZnCu2 by Materials Project

description: ZrCu2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Zr–Cu bond lengths are 2.69 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Zn atoms. All Cu–Zn bond lengths are 2.69 Å. Zn is bonded in a distorted body-centered cubic geometry to eight equivalent Cu atoms.
DOI: 10.17188/1187768
title: Materials Data on DyHg2 by Materials Project

description: DyHg2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Hg atoms to form a mixture of distorted edge and face-sharing DyHg12 cuboctahedra. All Dy–Hg bond lengths are 3.34 Å. Hg is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Hg atoms. All Hg–Hg bond lengths are 2.86 Å.
DOI: 10.17188/1187769
title: Materials Data on Er5Ga3 by Materials Project

description: Er5Ga3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to five equivalent Ga atoms. There are a spread of Er–Ga bond distances ranging from 2.99–3.50 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six equivalent Ga atoms. All Er–Ga bond lengths are 3.06 Å. Ga is bonded in a 9-coordinate geometry to nine Er atoms.
DOI: 10.17188/1187780
title: Materials Data on ErHg2 by Materials Project

description: ErHg2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded to twelve equivalent Hg atoms to form a mixture of distorted edge and face-sharing ErHg12 cuboctahedra. All Er–Hg bond lengths are 3.33 Å. Hg is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Hg atoms. All Hg–Hg bond lengths are 2.85 Å.
DOI: 10.17188/1187781
title: Materials Data on ErIn by Materials Project

description: ErIn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Er–In bond lengths are 3.23 Å. In is bonded in a body-centered cubic geometry to eight equivalent Er atoms.
DOI: 10.17188/1187782
title: Materials Data on ErInPd2 by Materials Project

description: ErPd2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Er–Pd bond lengths are 2.93 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent In atoms. All Pd–In bond lengths are 2.93 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1187783
title: Materials Data on ErSn3 by Materials Project

description: ErSn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Sn atoms to form ErSn12 cuboctahedra that share corners with twelve equivalent ErSn12 cuboctahedra, edges with twenty-four equivalent SnEr4Sn8 cuboctahedra, faces with six equivalent ErSn12 cuboctahedra, and faces with twelve equivalent SnEr4Sn8 cuboctahedra. All Er–Sn bond lengths are 3.33 Å. Sn is bonded to four equivalent Er and eight equivalent Sn atoms to form distorted SnEr4Sn8 cuboctahedra that share corners with twelve equivalent SnEr4Sn8 cuboctahedra, edges with eight equivalent ErSn12 cuboctahedra, edges with sixteen equivalent SnEr4Sn8 cuboctahedra, faces with four equivalent ErSn12 cuboctahedra, and faces with fourteen equivalent SnEr4Sn8 cuboctahedra. All Sn–Sn bond lengths are 3.33 Å.
DOI: 10.17188/1187784
title: Materials Data on DyTlPd by Materials Project

description: DyPdTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to five Pd and six equivalent Tl atoms. There are four shorter (3.06 Å) and one longer (3.16 Å) Dy–Pd bond lengths. There are two shorter (3.22 Å) and four longer (3.37 Å) Dy–Tl bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Tl atoms. All Pd–Tl bond lengths are 2.84 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Tl atoms. All Pd–Tl bond lengths are 2.92 Å. Tl is bonded in a 10-coordinate geometry to six equivalent Dy and four Pd atoms.
DOI: 10.17188/1187785
title: Materials Data on DyTl by Materials Project

description: DyTl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Dy–Tl bond lengths are 3.29 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.
DOI: 10.17188/1187786
title: Materials Data on EuHg by Materials Project

description: EuHg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Eu is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Eu–Hg bond lengths are 3.38 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Eu atoms.
DOI: 10.17188/1187787
title: Materials Data on LiF by Materials Project

description: LiF is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form a mixture of edge and corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.04 Å. F1- is bonded to six equivalent Li1+ atoms to form a mixture of edge and corner-sharing FLi6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1187788
title: Materials Data on NdFe5 by Materials Project

description: NdFe5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.97 Å) and twelve longer (3.24 Å) Nd–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Fe atoms. All Fe–Fe bond lengths are 2.47 Å. In the second Fe site, Fe is bonded to four equivalent Nd and eight Fe atoms to form a mixture of edge, face, and corner-sharing FeNd4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.57 Å.
DOI: 10.17188/1187789
title: Materials Data on NpFe2 by Materials Project

description: NpFe2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Np is bonded in a 12-coordinate geometry to four equivalent Np and twelve equivalent Fe atoms. All Np–Np bond lengths are 2.96 Å. All Np–Fe bond lengths are 2.84 Å. Fe is bonded to six equivalent Np and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FeNp6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.42 Å.
DOI: 10.17188/1187790
title: Materials Data on YFe5 by Materials Project

description: YFe5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.93 Å) and twelve longer (3.21 Å) Y–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent Y and eight Fe atoms to form a mixture of corner, edge, and face-sharing FeY4Fe8 cuboctahedra. There are four shorter (2.45 Å) and four longer (2.54 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Y and six equivalent Fe atoms.
DOI: 10.17188/1187791
title: Materials Data on HfGa3 by Materials Project

description: HfGa3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hf is bonded to twelve Ga atoms to form HfGa12 cuboctahedra that share corners with four equivalent HfGa12 cuboctahedra, edges with eight equivalent HfGa12 cuboctahedra, edges with sixteen equivalent GaHf4Ga8 cuboctahedra, faces with four equivalent HfGa12 cuboctahedra, and faces with eight equivalent GaHf4Ga8 cuboctahedra. There are four shorter (2.76 Å) and eight longer (3.00 Å) Hf–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a square co-planar geometry to four equivalent Hf and eight equivalent Ga atoms. All Ga–Ga bond lengths are 3.00 Å. In the second Ga site, Ga is bonded to four equivalent Hf and eight Ga atoms to form distorted GaHf4Ga8 cuboctahedra that share corners with twelve equivalent GaHf4Ga8 cuboctahedra, edges with eight equivalent HfGa12 cuboctahedra, edges with eight equivalent GaHf4Ga8 cuboctahedra, faces with four equivalent HfGa12 cuboctahedra, and faces with ten equivalent GaHf4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.76 Å.
DOI: 10.17188/1187792
title: Materials Data on GaIr by Materials Project

description: IrGa is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ir is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ir–Ga bond lengths are 2.65 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.
DOI: 10.17188/1187793
title: Materials Data on Co3Mo by Materials Project

description: Co3Mo is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo is bonded to twelve Co atoms to form MoCo12 cuboctahedra that share corners with six equivalent MoCo12 cuboctahedra, corners with twelve CoCo8Mo4 cuboctahedra, edges with eighteen CoCo8Mo4 cuboctahedra, faces with eight equivalent MoCo12 cuboctahedra, and faces with twelve CoCo8Mo4 cuboctahedra. There are six shorter (2.55 Å) and six longer (2.56 Å) Mo–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Mo and eight Co atoms to form distorted CoCo8Mo4 cuboctahedra that share corners with four equivalent MoCo12 cuboctahedra, corners with fourteen CoCo8Mo4 cuboctahedra, edges with six equivalent MoCo12 cuboctahedra, edges with twelve CoCo8Mo4 cuboctahedra, faces with four equivalent MoCo12 cuboctahedra, and faces with sixteen CoCo8Mo4 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.48–2.63 Å. In the second Co site, Co is bonded to four equivalent Mo and eight equivalent Co atoms to form distorted CoCo8Mo4 cuboctahedra that share corners with four equivalent MoCo12 cuboctahedra, corners with fourteen CoCo8Mo4 cuboctahedra, edges with six equivalent MoCo12 cuboctahedra, edges with twelve equivalent CoCo8Mo4 cuboctahedra, faces with four equivalent MoCo12 cuboctahedra, and faces with sixteen CoCo8Mo4 cuboctahedra.
DOI: 10.17188/1187794
title: Materials Data on LiGaSi by Materials Project

description: LiGaSi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Si4- atoms to form distorted LiSi6 octahedra that share corners with six equivalent LiSi6 octahedra, corners with twelve equivalent GaSi4 tetrahedra, edges with twelve equivalent LiSi6 octahedra, and faces with four equivalent GaSi4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Si bond lengths are 2.94 Å. Ga3+ is bonded to four equivalent Si4- atoms to form distorted GaSi4 tetrahedra that share corners with twelve equivalent LiSi6 octahedra, corners with twelve equivalent GaSi4 tetrahedra, and faces with four equivalent LiSi6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ga–Si bond lengths are 2.55 Å. Si4- is bonded in a distorted q6 geometry to six equivalent Li1+ and four equivalent Ga3+ atoms.
DOI: 10.17188/1187795
title: Materials Data on TmGa2Pd by Materials Project

description: TmPdGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 1-coordinate geometry to five equivalent Pd and ten equivalent Ga atoms. There are a spread of Tm–Pd bond distances ranging from 2.90–3.51 Å. There are a spread of Tm–Ga bond distances ranging from 3.00–3.35 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Tm and six equivalent Ga atoms. There are two shorter (2.64 Å) and four longer (2.66 Å) Pd–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to five equivalent Tm, three equivalent Pd, and two equivalent Ga atoms. There are one shorter (2.62 Å) and one longer (2.67 Å) Ga–Ga bond lengths.
DOI: 10.17188/1187796
title: Materials Data on Nb3Ga2 by Materials Project

description: Nb3Ga2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a square co-planar geometry to four equivalent Ga atoms. All Nb–Ga bond lengths are 2.74 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to six equivalent Ga atoms. There are two shorter (2.63 Å) and four longer (2.76 Å) Nb–Ga bond lengths. Ga is bonded in a 9-coordinate geometry to eight Nb and one Ga atom. The Ga–Ga bond length is 2.48 Å.
DOI: 10.17188/1187797
title: Materials Data on NdGa2Ni by Materials Project

description: NdNiGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to four equivalent Ni and ten Ga atoms. All Nd–Ni bond lengths are 3.20 Å. There are a spread of Nd–Ga bond distances ranging from 3.19–3.35 Å. Ni is bonded in a 10-coordinate geometry to four equivalent Nd, one Ni, and five Ga atoms. The Ni–Ni bond length is 2.57 Å. There are a spread of Ni–Ga bond distances ranging from 2.39–2.46 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Nd, four equivalent Ni, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.96 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to six equivalent Nd, one Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.55 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Nd, four equivalent Ni, and four equivalent Ga atoms.
DOI: 10.17188/1187798
title: Materials Data on Ga3Ni2 by Materials Project

description: Ni2Ga3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ni is bonded in a distorted body-centered cubic geometry to eight Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.43–2.60 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to six equivalent Ni atoms. In the second Ga site, Ga is bonded in a 11-coordinate geometry to five equivalent Ni atoms.