cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1205018
title: Materials Data on Th2Fe7 by Materials Project

description: Th2Fe7 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Th–Fe bond distances ranging from 2.94–3.18 Å. In the second Th site, Th is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are a spread of Th–Fe bond distances ranging from 2.96–3.35 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Th and six equivalent Fe atoms to form FeTh6Fe6 cuboctahedra that share corners with twelve equivalent FeTh5Fe7 cuboctahedra, edges with six equivalent FeTh6Fe6 cuboctahedra, and faces with eighteen equivalent FeTh5Fe7 cuboctahedra. All Fe–Fe bond lengths are 2.59 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Th and six Fe atoms. All Fe–Fe bond lengths are 2.51 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Th and six Fe atoms. There are three shorter (2.51 Å) and three longer (2.52 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded to four equivalent Th and eight Fe atoms to form FeTh4Fe8 cuboctahedra that share corners with sixteen FeTh5Fe7 cuboctahedra, edges with ten FeTh5Fe7 cuboctahedra, and faces with ten FeTh4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.56 Å. In the fifth Fe site, Fe is bonded to five Th and seven Fe atoms to form distorted FeTh5Fe7 cuboctahedra that share corners with seventeen FeTh6Fe6 cuboctahedra, edges with eight FeTh4Fe8 cuboctahedra, and faces with fourteen FeTh6Fe6 cuboctahedra. There are two shorter (2.55 Å) and two longer (2.57 Å) Fe–Fe bond lengths.
DOI: 10.17188/1205019
title: Materials Data on Tm2Fe17 by Materials Project

description: Tm2Fe17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are a spread of Tm–Fe bond distances ranging from 2.93–3.25 Å. In the second Tm site, Tm is bonded in a 8-coordinate geometry to twenty Fe atoms. There are a spread of Tm–Fe bond distances ranging from 2.95–3.19 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Tm and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.36–2.78 Å. In the second Fe site, Fe is bonded to two equivalent Tm and ten Fe atoms to form FeTm2Fe10 cuboctahedra that share corners with fourteen FeTm2Fe10 cuboctahedra, edges with six equivalent FeTm3Fe9 cuboctahedra, and faces with ten FeTm2Fe10 cuboctahedra. There are four shorter (2.44 Å) and four longer (2.45 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two Tm and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.47–2.57 Å. In the fourth Fe site, Fe is bonded to three Tm and nine Fe atoms to form a mixture of distorted edge, face, and corner-sharing FeTm3Fe9 cuboctahedra. Both Fe–Fe bond lengths are 2.42 Å.
DOI: 10.17188/1205020
title: Materials Data on Y6Fe23 by Materials Project

description: Y6Fe23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.91–3.05 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted q6 geometry to three equivalent Y and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.47–2.60 Å. In the second Fe site, Fe is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.54 Å. In the third Fe site, Fe is bonded to four equivalent Y and eight Fe atoms to form a mixture of corner and face-sharing FeY4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.63 Å. In the fourth Fe site, Fe is bonded in a 10-coordinate geometry to three equivalent Y and ten Fe atoms. All Fe–Fe bond lengths are 2.94 Å.
DOI: 10.17188/1205021
title: Materials Data on Hf3Nb2Ga3 by Materials Project

description: Hf3Nb2Ga3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Hf is bonded in a 5-coordinate geometry to four equivalent Nb and five equivalent Ga atoms. All Hf–Nb bond lengths are 3.35 Å. There are a spread of Hf–Ga bond distances ranging from 2.75–2.98 Å. Nb is bonded in a 6-coordinate geometry to six equivalent Hf, two equivalent Nb, and six equivalent Ga atoms. Both Nb–Nb bond lengths are 2.73 Å. All Nb–Ga bond lengths are 2.79 Å. Ga is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Nb atoms.
DOI: 10.17188/1205022
title: Materials Data on HoGa4Ni by Materials Project

description: HoNiGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen Ga atoms. Both Ho–Ni bond lengths are 3.13 Å. There are a spread of Ho–Ga bond distances ranging from 2.90–3.39 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Ho and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.35–2.50 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Ho, three equivalent Ni, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.63–3.00 Å. In the second Ga site, Ga is bonded in a distorted linear geometry to three equivalent Ho, one Ni, and eight Ga atoms. All Ga–Ga bond lengths are 2.84 Å. In the third Ga site, Ga is bonded in a distorted q6 geometry to four equivalent Ho and six Ga atoms.
DOI: 10.17188/1205023
title: Materials Data on LiMg2Ga by Materials Project

description: LiMg2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. All Li–Mg bond lengths are 2.89 Å. Mg is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ga atoms. All Mg–Ga bond lengths are 2.89 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1205024
title: Materials Data on Ho(FeGe)2 by Materials Project

description: HoFe2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to eight equivalent Fe and eight equivalent Ge atoms. All Ho–Fe bond lengths are 3.32 Å. All Ho–Ge bond lengths are 3.05 Å. Fe is bonded to four equivalent Ho and four equivalent Ge atoms to form a mixture of edge, corner, and face-sharing FeHo4Ge4 tetrahedra. All Fe–Ge bond lengths are 2.43 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ho, four equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.51 Å.
DOI: 10.17188/1205025
title: Materials Data on Mg2Ga by Materials Project

description: Mg2Ga crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four Ga atoms to form a mixture of distorted edge and corner-sharing MgGa4 tetrahedra. There are two shorter (2.78 Å) and two longer (2.84 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.97–3.03 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to nine Mg atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Mg atoms.
DOI: 10.17188/1205026
title: Materials Data on MgGa2 by Materials Project

description: MgGa2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to twelve equivalent Ga atoms. There are six shorter (2.87 Å) and six longer (3.29 Å) Mg–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Mg and four equivalent Ga atoms. There are three shorter (2.61 Å) and one longer (2.81 Å) Ga–Ga bond lengths.
DOI: 10.17188/1205027
title: Materials Data on Sc3(MnGa3)2 by Materials Project

description: Sc3(MnGa3)2 is beta Plutonium-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 12-coordinate geometry to three Mn and nine Ga atoms. There are a spread of Sc–Mn bond distances ranging from 3.00–3.11 Å. There are a spread of Sc–Ga bond distances ranging from 2.85–3.17 Å. In the second Sc site, Sc is bonded in a 1-coordinate geometry to two Mn and eleven Ga atoms. There are one shorter (2.98 Å) and one longer (3.25 Å) Sc–Mn bond lengths. There are a spread of Sc–Ga bond distances ranging from 2.73–3.34 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to three Sc, one Mn, and eight Ga atoms. The Mn–Mn bond length is 2.67 Å. There are a spread of Mn–Ga bond distances ranging from 2.65–2.71 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to five Sc, one Mn, and six Ga atoms. There are a spread of Mn–Ga bond distances ranging from 2.42–2.59 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to five Sc, three Mn, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.65 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Sc, one Mn, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.66 Å. In the third Ga site, Ga is bonded in a 11-coordinate geometry to five Sc, two Mn, and four Ga atoms. There are one shorter (2.76 Å) and one longer (2.79 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to four Sc, three Mn, and three Ga atoms. The Ga–Ga bond length is 2.85 Å.
DOI: 10.17188/1205028
title: Materials Data on Ga4Ni3 by Materials Project

description: Ga4Ni3 crystallizes in the cubic Ia-3d 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 2.46–2.58 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to six equivalent Ni atoms. In the second Ga site, Ga is bonded in a 11-coordinate geometry to six equivalent Ni and one Ga atom. The Ga–Ga bond length is 2.59 Å.
DOI: 10.17188/1205029
title: Materials Data on TiGaNi by Materials Project

description: TiNiGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 11-coordinate geometry to five Ni and six equivalent Ga atoms. There are four shorter (2.62 Å) and one longer (2.67 Å) Ti–Ni bond lengths. There are two shorter (2.76 Å) and four longer (2.84 Å) Ti–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Ga atoms. All Ni–Ga bond lengths are 2.44 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Ga atoms. All Ni–Ga bond lengths are 2.50 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Ti and four Ni atoms.
DOI: 10.17188/1205030
title: Materials Data on TiGaNi2 by Materials Project

description: Ni2TiGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Ni and six equivalent Ga atoms. All Ti–Ni bond lengths are 2.55 Å. All Ti–Ga bond lengths are 2.94 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ga atoms. All Ni–Ga bond lengths are 2.55 Å. Ga is bonded in a distorted body-centered cubic geometry to six equivalent Ti and eight equivalent Ni atoms.
DOI: 10.17188/1205031
title: Materials Data on VGaNi2 by Materials Project

description: VNi2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All V–Ni bond lengths are 2.51 Å. Ni is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Ga atoms. All Ni–Ga bond lengths are 2.51 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Ni atoms.
DOI: 10.17188/1205032
title: Materials Data on YGa2Ni3 by Materials Project

description: YNi3Ga2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Y–Ni bond lengths are 2.78 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve Ni and six equivalent Ga atoms. There are six shorter (3.08 Å) and six longer (3.24 Å) Y–Ni bond lengths. All Y–Ga bond lengths are 3.05 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 5-coordinate geometry to three Y, four Ni, and four equivalent Ga atoms. There are two shorter (2.48 Å) and two longer (2.78 Å) Ni–Ni bond lengths. All Ni–Ga bond lengths are 2.44 Å. In the second Ni site, Ni is bonded to four equivalent Y, four equivalent Ni, and four equivalent Ga atoms to form a mixture of face and corner-sharing NiY4Ga4Ni4 cuboctahedra. All Ni–Ga bond lengths are 2.55 Å. Ga is bonded in a 12-coordinate geometry to two equivalent Y and six Ni atoms.
DOI: 10.17188/1205033
title: Materials Data on Ga5Pd by Materials Project

description: PdGa5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Pd is bonded in a 10-coordinate geometry to ten Ga atoms. There are two shorter (2.53 Å) and eight longer (2.74 Å) Pd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted linear geometry to two equivalent Pd and eight equivalent Ga atoms. All Ga–Ga bond lengths are 2.87 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Pd and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.69–2.95 Å.
DOI: 10.17188/1205034
title: Materials Data on ScGaPd2 by Materials Project

description: ScPd2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Sc–Pd bond lengths are 2.77 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Ga atoms. All Pd–Ga bond lengths are 2.77 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1205035
title: Materials Data on Zn3Ga4Pd7 by Materials Project

description: Pd7Zn3Ga4 is beta-prime palladium aluminum-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 7-coordinate geometry to four equivalent Zn and three Ga atoms. There are a spread of Pd–Zn bond distances ranging from 2.63–2.69 Å. There are one shorter (2.58 Å) and two longer (2.63 Å) Pd–Ga bond lengths. In the second Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Zn and five Ga atoms. There are one shorter (2.69 Å) and one longer (2.73 Å) Pd–Zn bond lengths. There are a spread of Pd–Ga bond distances ranging from 2.61–2.70 Å. In the third Pd site, Pd is bonded in a distorted body-centered cubic geometry to three equivalent Zn and five Ga atoms. All Pd–Zn bond lengths are 2.73 Å. There are a spread of Pd–Ga bond distances ranging from 2.58–2.78 Å. Zn is bonded in a 7-coordinate geometry to seven Pd atoms. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to seven Pd atoms. In the second Ga site, Ga is bonded in a distorted body-centered cubic geometry to eight Pd atoms.
DOI: 10.17188/1205036
title: Materials Data on Ga3Pt5 by Materials Project

description: Ga3Pt5 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a distorted square co-planar geometry to four equivalent Pt+1.20- and four equivalent Ga2+ atoms. All Pt–Pt bond lengths are 2.78 Å. All Pt–Ga bond lengths are 2.65 Å. In the second Pt+1.20- site, Pt+1.20- is bonded to six Pt+1.20- and six Ga2+ atoms to form a mixture of distorted corner and face-sharing PtGa6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.87 Å. There are four shorter (2.76 Å) and two longer (2.78 Å) Pt–Ga bond lengths. In the third Pt+1.20- site, Pt+1.20- is bonded in a 2-coordinate geometry to four equivalent Pt+1.20- and six Ga2+ atoms. There are two shorter (2.54 Å) and four longer (2.81 Å) Pt–Ga bond lengths. There are two inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a body-centered cubic geometry to eight Pt+1.20- atoms. In the second Ga2+ site, Ga2+ is bonded in a distorted q6 geometry to ten Pt+1.20- atoms.
DOI: 10.17188/1205037
title: Materials Data on Ga17Rh10 by Materials Project

description: Rh10Ga17 crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. there are eleven inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.45–2.91 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to six Ga atoms. There are four shorter (2.46 Å) and two longer (2.73 Å) Rh–Ga bond lengths. In the third Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are four shorter (2.56 Å) and four longer (2.64 Å) Rh–Ga bond lengths. In the fourth Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.45–2.99 Å. In the fifth Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.55–2.66 Å. In the sixth Rh site, Rh is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.45–2.73 Å. In the seventh Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.49–2.75 Å. In the eighth Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.46–2.85 Å. In the ninth Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.48–2.79 Å. In the tenth Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.53–2.68 Å. In the eleventh Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.51–2.71 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to five Rh atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to four Rh atoms. In the third Ga site, Ga is bonded in a 4-coordinate geometry to four Rh atoms. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to five Rh atoms. In the fifth Ga site, Ga is bonded in a 4-coordinate geometry to four Rh atoms. In the sixth Ga site, Ga is bonded in a 2-coordinate geometry to five Rh atoms. In the seventh Ga site, Ga is bonded in a 2-coordinate geometry to five Rh atoms. In the eighth Ga site, Ga is bonded in a 4-coordinate geometry to four Rh atoms. In the ninth Ga site, Ga is bonded in a 2-coordinate geometry to five Rh atoms.
DOI: 10.17188/1205038
title: Materials Data on Sc3Ga2 by Materials Project

description: Sc3Ga2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.77–3.06 Å. In the second Sc site, Sc is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.74–3.46 Å. In the third Sc site, Sc is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.80–3.25 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to nine Sc and one Ga atom. The Ga–Ga bond length is 2.66 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Sc atoms. In the third Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. In the fourth Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Sc atoms.
DOI: 10.17188/1205039
title: Materials Data on Sr8Ga7 by Materials Project

description: Ga7Sr8 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.40 Å) and three longer (3.47 Å) Sr–Ga bond lengths. In the second Sr site, Sr is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.38 Å) and three longer (3.40 Å) Sr–Ga bond lengths. In the third Sr site, Sr is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Sr–Ga bond distances ranging from 3.28–3.53 Å. In the fourth Sr site, Sr is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Sr–Ga bond distances ranging from 3.27–3.55 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six Sr and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.76 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to seven Sr and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.69 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to six Sr and three Ga atoms. Both Ga–Ga bond lengths are 2.72 Å.
DOI: 10.17188/1205040
title: Materials Data on Ta5Ga3 by Materials Project

description: Ta5Ga3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 8-coordinate geometry to two equivalent Ta and six equivalent Ga atoms. Both Ta–Ta bond lengths are 2.64 Å. All Ta–Ga bond lengths are 2.72 Å. In the second Ta site, Ta is bonded in a 5-coordinate geometry to five equivalent Ga atoms. There are a spread of Ta–Ga bond distances ranging from 2.67–2.88 Å. Ga is bonded in a 9-coordinate geometry to nine Ta atoms.
DOI: 10.17188/1205041
title: Materials Data on ThGa by Materials Project

description: ThGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 7-coordinate geometry to seven Ga atoms. There are a spread of Th–Ga bond distances ranging from 3.13–3.31 Å. In the second Th site, Th is bonded in a 7-coordinate geometry to seven Ga atoms. There are a spread of Th–Ga bond distances ranging from 3.12–3.31 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to seven Th and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.65 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to seven Th and two equivalent Ga atoms.