cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1187799
title: Materials Data on Ga3Ni5 by Materials Project

description: Ni5Ga3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded to eight Ni and four equivalent Ga atoms to form NiGa4Ni8 cuboctahedra that share corners with four equivalent NiGa4Ni8 cuboctahedra, edges with eight equivalent NiGa6Ni6 cuboctahedra, and faces with six NiGa4Ni8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.62 Å) Ni–Ni bond lengths. All Ni–Ga bond lengths are 2.48 Å. In the second Ni site, Ni is bonded to six Ni and six Ga atoms to form distorted NiGa6Ni6 cuboctahedra that share corners with twelve equivalent NiGa6Ni6 cuboctahedra, edges with four equivalent NiGa4Ni8 cuboctahedra, and faces with eight NiGa4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.64 Å. All Ni–Ga bond lengths are 2.53 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to six Ni and six Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.42–2.61 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to eight Ni atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to ten Ni atoms.
DOI: 10.17188/1187800
title: Materials Data on Pu by Materials Project

description: Pu is Copper structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu is bonded to twelve equivalent Pu atoms to form a mixture of face, edge, and corner-sharing PuPu12 cuboctahedra. All Pu–Pu bond lengths are 3.39 Å.
DOI: 10.17188/1187801
title: Materials Data on NdCu5 by Materials Project

description: NdCu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to eighteen Cu atoms. There are six shorter (2.95 Å) and twelve longer (3.28 Å) Nd–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Cu atoms. All Cu–Cu bond lengths are 2.53 Å. In the second Cu site, Cu is bonded to four equivalent Nd and eight Cu atoms to form a mixture of corner, edge, and face-sharing CuNd4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.56 Å.
DOI: 10.17188/1187802
title: Materials Data on ScGaNi2 by Materials Project

description: ScNi2Ga 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 Ni and six equivalent Ga atoms. All Sc–Ni bond lengths are 2.62 Å. All Sc–Ga bond lengths are 3.02 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Ga atoms. All Ni–Ga bond lengths are 2.62 Å. Ga is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Ni atoms.
DOI: 10.17188/1187803
title: Materials Data on ScGa2Ni by Materials Project

description: ScNiGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sc is bonded in a 1-coordinate geometry to three equivalent Ni and ten equivalent Ga atoms. There are one shorter (2.70 Å) and two longer (2.92 Å) Sc–Ni bond lengths. There are a spread of Sc–Ga bond distances ranging from 2.86–3.15 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Sc and six equivalent Ga atoms. There are two shorter (2.45 Å) and four longer (2.49 Å) Ni–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to five equivalent Sc, three equivalent Ni, and two equivalent Ga atoms. There are one shorter (2.60 Å) and one longer (2.71 Å) Ga–Ga bond lengths.
DOI: 10.17188/1187804
title: Materials Data on PrGa by Materials Project

description: PrGa crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 7-coordinate geometry to seven equivalent Ga atoms. There are a spread of Pr–Ga bond distances ranging from 3.19–3.31 Å. Ga is bonded in a 9-coordinate geometry to seven equivalent Pr and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.64 Å.
DOI: 10.17188/1187805
title: Materials Data on Pr3Ga by Materials Project

description: Pr3Ga is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to eight equivalent Pr and four equivalent Ga atoms to form distorted PrPr8Ga4 cuboctahedra that share corners with twelve equivalent PrPr8Ga4 cuboctahedra, edges with eight equivalent GaPr12 cuboctahedra, edges with sixteen equivalent PrPr8Ga4 cuboctahedra, faces with four equivalent GaPr12 cuboctahedra, and faces with fourteen equivalent PrPr8Ga4 cuboctahedra. All Pr–Pr bond lengths are 3.47 Å. All Pr–Ga bond lengths are 3.47 Å. Ga is bonded to twelve equivalent Pr atoms to form GaPr12 cuboctahedra that share corners with twelve equivalent GaPr12 cuboctahedra, edges with twenty-four equivalent PrPr8Ga4 cuboctahedra, faces with six equivalent GaPr12 cuboctahedra, and faces with twelve equivalent PrPr8Ga4 cuboctahedra.
DOI: 10.17188/1187806
title: Materials Data on GaPt3 by Materials Project

description: Pt3Ga is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pt+0.67- is bonded to eight equivalent Pt+0.67- and four equivalent Ga2+ atoms to form distorted PtGa4Pt8 cuboctahedra that share corners with twelve equivalent PtGa4Pt8 cuboctahedra, edges with eight equivalent GaPt12 cuboctahedra, edges with sixteen equivalent PtGa4Pt8 cuboctahedra, faces with four equivalent GaPt12 cuboctahedra, and faces with fourteen equivalent PtGa4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.79 Å. All Pt–Ga bond lengths are 2.79 Å. Ga2+ is bonded to twelve equivalent Pt+0.67- atoms to form GaPt12 cuboctahedra that share corners with twelve equivalent GaPt12 cuboctahedra, edges with twenty-four equivalent PtGa4Pt8 cuboctahedra, faces with six equivalent GaPt12 cuboctahedra, and faces with twelve equivalent PtGa4Pt8 cuboctahedra.
DOI: 10.17188/1187807
title: Materials Data on ScGa by Materials Project

description: ScGa crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sc is bonded in a 7-coordinate geometry to seven equivalent Ga atoms. There are five shorter (2.87 Å) and two longer (3.03 Å) Sc–Ga bond lengths. Ga is bonded in a 9-coordinate geometry to seven equivalent Sc and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.58 Å.
DOI: 10.17188/1187808
title: Materials Data on ScGa2 by Materials Project

description: ScGa2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Sc is bonded in a 10-coordinate geometry to ten equivalent Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.95–3.02 Å. Ga is bonded in a 9-coordinate geometry to five equivalent Sc and four equivalent Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.53–2.70 Å.
DOI: 10.17188/1187809
title: Materials Data on ScGa2 by Materials Project

description: ScGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sc is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.83–3.00 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Sc and four equivalent Ga atoms. All Ga–Ga bond lengths are 3.06 Å. In the second Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Sc and four equivalent Ga atoms. All Ga–Ga bond lengths are 3.05 Å. In the third Ga site, Ga is bonded to six equivalent Sc and six Ga atoms to form a mixture of distorted corner, edge, and face-sharing GaSc6Ga6 cuboctahedra. Both Ga–Ga bond lengths are 2.78 Å.
DOI: 10.17188/1187813
title: Materials Data on Sm9Ga4 by Materials Project

description: Sm9Ga4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a square co-planar geometry to four equivalent Ga atoms. All Sm–Ga bond lengths are 3.08 Å. In the second Sm site, Sm is bonded in a 1-coordinate geometry to four equivalent Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.02–3.54 Å. In the third Sm site, Sm is bonded in a 3-coordinate geometry to five equivalent Ga atoms. There are three shorter (3.07 Å) and two longer (3.74 Å) Sm–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to ten Sm atoms.
DOI: 10.17188/1187814
title: Materials Data on TaGa3 by Materials Project

description: TaGa3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ta is bonded to twelve Ga atoms to form TaGa12 cuboctahedra that share corners with four equivalent TaGa12 cuboctahedra, edges with eight equivalent TaGa12 cuboctahedra, edges with sixteen equivalent GaTa4Ga8 cuboctahedra, faces with four equivalent TaGa12 cuboctahedra, and faces with eight equivalent GaTa4Ga8 cuboctahedra. There are four shorter (2.71 Å) and eight longer (2.91 Å) Ta–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Ta and eight equivalent Ga atoms. All Ga–Ga bond lengths are 2.91 Å. In the second Ga site, Ga is bonded to four equivalent Ta and eight Ga atoms to form GaTa4Ga8 cuboctahedra that share corners with twelve equivalent GaTa4Ga8 cuboctahedra, edges with eight equivalent TaGa12 cuboctahedra, edges with eight equivalent GaTa4Ga8 cuboctahedra, faces with four equivalent TaGa12 cuboctahedra, and faces with ten equivalent GaTa4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.71 Å.
DOI: 10.17188/1187815
title: Materials Data on TbGa by Materials Project

description: TbGa crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 7-coordinate geometry to seven equivalent Ga atoms. There are a spread of Tb–Ga bond distances ranging from 3.07–3.21 Å. Ga is bonded in a 9-coordinate geometry to seven equivalent Tb and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.63 Å.
DOI: 10.17188/1187817
title: Materials Data on ThGa2 by Materials Project

description: ThGa2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded to twelve equivalent Ga atoms to form a mixture of face and edge-sharing ThGa12 cuboctahedra. All Th–Ga bond lengths are 3.26 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.47 Å.
DOI: 10.17188/1187818
title: Materials Data on YGa by Materials Project

description: GaY crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 7-coordinate geometry to seven equivalent Ga atoms. There are a spread of Y–Ga bond distances ranging from 3.06–3.20 Å. Ga is bonded in a 9-coordinate geometry to seven equivalent Y and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.63 Å.
DOI: 10.17188/1187819
title: Materials Data on Gd by Materials Project

description: Gd is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Gd is bonded in a distorted body-centered cubic geometry to eight equivalent Gd atoms. All Gd–Gd bond lengths are 3.50 Å.
DOI: 10.17188/1187820
title: Materials Data on GdHg by Materials Project

description: GdHg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Gd–Hg bond lengths are 3.26 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.
DOI: 10.17188/1187821
title: Materials Data on GdPd by Materials Project

description: GdPd crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 7-coordinate geometry to seven equivalent Pd atoms. There are a spread of Gd–Pd bond distances ranging from 2.97–3.06 Å. Pd is bonded in a 7-coordinate geometry to seven equivalent Gd atoms.
DOI: 10.17188/1187822
title: Materials Data on GdPt by Materials Project

description: GdPt crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd is bonded in a 7-coordinate geometry to seven equivalent Pt atoms. There are a spread of Gd–Pt bond distances ranging from 2.92–3.10 Å. Pt is bonded in a 7-coordinate geometry to seven equivalent Gd atoms.
DOI: 10.17188/1187824
title: Materials Data on Ca3Al7Ag2 by Materials Project

description: Ca3Ag2Al7 is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted hexagonal planar geometry to six equivalent Ag and twelve equivalent Al atoms. All Ca–Ag bond lengths are 3.26 Å. All Ca–Al bond lengths are 3.59 Å. In the second Ca site, Ca is bonded in a 12-coordinate geometry to twelve Al atoms. There are a spread of Ca–Al bond distances ranging from 3.26–3.31 Å. Ag is bonded in a 9-coordinate geometry to three equivalent Ca and six equivalent Al atoms. There are three shorter (2.72 Å) and three longer (2.78 Å) Ag–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to five Ca, two equivalent Ag, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.77–2.87 Å. In the second Al site, Al is bonded to six equivalent Ca and six equivalent Al atoms to form edge-sharing AlCa6Al6 cuboctahedra.
DOI: 10.17188/1187825
title: Materials Data on CaGa3Ni2 by Materials Project

description: CaNi2Ga3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to four equivalent Ni and eleven Ga atoms. All Ca–Ni bond lengths are 3.34 Å. There are a spread of Ca–Ga bond distances ranging from 3.11–3.50 Å. Ni is bonded in a 10-coordinate geometry to two equivalent Ca, two equivalent Ni, and six Ga atoms. Both Ni–Ni bond lengths are 2.58 Å. There are a spread of Ni–Ga bond distances ranging from 2.39–2.56 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to four equivalent Ca, four equivalent Ni, and three Ga atoms. There are one shorter (2.57 Å) and two longer (2.89 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Ca, four equivalent Ni, and four Ga atoms. Both Ga–Ga bond lengths are 2.70 Å.
DOI: 10.17188/1187826
title: Materials Data on ErGaCo by Materials Project

description: ErCoGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five equivalent Co and six equivalent Ga atoms. There are a spread of Er–Co bond distances ranging from 2.83–2.89 Å. There are a spread of Er–Ga bond distances ranging from 3.01–3.13 Å. Co is bonded in a 9-coordinate geometry to five equivalent Er and four equivalent Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.52–2.58 Å. Ga is bonded in a 12-coordinate geometry to six equivalent Er and four equivalent Co atoms.
DOI: 10.17188/1187827
title: Materials Data on Er(TiGa2)2 by Materials Project

description: Er(TiGa2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a distorted square co-planar geometry to twelve Ga atoms. There are four shorter (2.87 Å) and eight longer (3.32 Å) Er–Ga bond lengths. Ti is bonded in a 10-coordinate geometry to two equivalent Ti and eight Ga atoms. Both Ti–Ti bond lengths are 2.73 Å. All Ti–Ga bond lengths are 2.79 Å. There are seven inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent Ti, and four Ga atoms. There are two shorter (2.68 Å) and two longer (2.90 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent Ti, and four Ga atoms. There are two shorter (2.68 Å) and two longer (2.90 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent Ti, and four Ga atoms. Both Ga–Ga bond lengths are 2.90 Å. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent Ti, and four Ga atoms. Both Ga–Ga bond lengths are 2.68 Å. In the fifth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent Ti, and four Ga atoms. Both Ga–Ga bond lengths are 2.68 Å. In the sixth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent Ti, and four Ga atoms. Both Ga–Ga bond lengths are 2.90 Å. In the seventh Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent Ti, and four Ga atoms.
DOI: 10.17188/1187828
title: Materials Data on Er(VGa2)2 by Materials Project

description: Er(VGa2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded to twelve Ga atoms to form a mixture of distorted edge and face-sharing ErGa12 cuboctahedra. There are four shorter (2.83 Å) and eight longer (3.20 Å) Er–Ga bond lengths. V is bonded in a 10-coordinate geometry to two equivalent V and eight Ga atoms. Both V–V bond lengths are 2.62 Å. All V–Ga bond lengths are 2.72 Å. There are six inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent V, and four equivalent Ga atoms. There are two shorter (2.61 Å) and two longer (2.79 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent V, and four Ga atoms. There are two shorter (2.61 Å) and two longer (2.79 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent V, and four Ga atoms. There are two shorter (2.61 Å) and two longer (2.79 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent V, and four Ga atoms. There are two shorter (2.61 Å) and two longer (2.79 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent V, and four Ga atoms. In the sixth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent V, and four Ga atoms.
DOI: 10.17188/1187829
title: Materials Data on Er3Rh by Materials Project

description: Er3Rh is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 2-coordinate geometry to three equivalent Rh atoms. There are a spread of Er–Rh bond distances ranging from 2.83–3.28 Å. In the second Er site, Er is bonded in a distorted bent 150 degrees geometry to two equivalent Rh atoms. There are one shorter (2.75 Å) and one longer (2.83 Å) Er–Rh bond lengths. Rh is bonded in a 6-coordinate geometry to eight Er atoms.
DOI: 10.17188/1187830
title: Materials Data on Sc(GaFe)6 by Materials Project

description: ScFe6Ga6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Sc is bonded to twelve Fe and eight Ga atoms to form distorted ScGa8Fe12 hexagonal bipyramids that share corners with eight equivalent ScGa8Fe12 hexagonal bipyramids, faces with twenty-four FeSc2Ga6Fe4 cuboctahedra, and faces with two equivalent ScGa8Fe12 hexagonal bipyramids. There are four shorter (3.23 Å) and eight longer (3.26 Å) Sc–Fe bond lengths. There are a spread of Sc–Ga bond distances ranging from 2.75–2.93 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Sc, four equivalent Fe, and six Ga atoms to form distorted FeSc2Ga6Fe4 cuboctahedra that share corners with fourteen FeSc2Ga6Fe4 cuboctahedra, edges with seven FeSc2Ga6Fe4 cuboctahedra, faces with nine FeSc2Ga6Fe4 cuboctahedra, and faces with four equivalent ScGa8Fe12 hexagonal bipyramids. All Fe–Fe bond lengths are 2.49 Å. There are four shorter (2.56 Å) and two longer (2.59 Å) Fe–Ga bond lengths. In the second Fe site, Fe is bonded to two equivalent Sc, four Fe, and six Ga atoms to form distorted FeSc2Ga6Fe4 cuboctahedra that share corners with fourteen FeSc2Ga6Fe4 cuboctahedra, edges with six FeSc2Ga6Fe4 cuboctahedra, faces with ten FeSc2Ga6Fe4 cuboctahedra, and faces with four equivalent ScGa8Fe12 hexagonal bipyramids. Both Fe–Fe bond lengths are 2.50 Å. There are two shorter (2.53 Å) and four longer (2.57 Å) Fe–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to one Sc, six Fe, and one Ga atom. The Ga–Ga bond length is 2.92 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to one Sc, six Fe, and three Ga atoms. There are one shorter (2.74 Å) and two longer (2.87 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent Sc, six Fe, and two equivalent Ga atoms.
DOI: 10.17188/1187831
title: Materials Data on ErP by Materials Project

description: ErP is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er3+ is bonded to six equivalent P3- atoms to form a mixture of corner and edge-sharing ErP6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Er–P bond lengths are 2.81 Å. P3- is bonded to six equivalent Er3+ atoms to form a mixture of corner and edge-sharing PEr6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1187832
title: Materials Data on HfGa2 by Materials Project

description: HfGa2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Hf is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Hf–Ga bond distances ranging from 2.80–3.00 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Hf and four equivalent Ga atoms. There are two shorter (3.03 Å) and two longer (3.06 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six equivalent Hf and six Ga atoms. Both Ga–Ga bond lengths are 2.77 Å.
DOI: 10.17188/1187833
title: Materials Data on Hf2Ga3 by Materials Project

description: Hf2Ga3 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Hf is bonded in a 7-coordinate geometry to nine Ga atoms. There are a spread of Hf–Ga bond distances ranging from 2.79–3.16 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six equivalent Hf and four equivalent Ga atoms. There are two shorter (2.62 Å) and two longer (2.72 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six equivalent Hf and four Ga atoms. Both Ga–Ga bond lengths are 2.75 Å.
DOI: 10.17188/1187834
title: Materials Data on HoGaNi by Materials Project

description: HoNiGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 1-coordinate geometry to five equivalent Ni and six equivalent Ga atoms. There are a spread of Ho–Ni bond distances ranging from 2.81–3.06 Å. There are a spread of Ho–Ga bond distances ranging from 2.99–3.11 Å. Ni is bonded in a 9-coordinate geometry to five equivalent Ho and four equivalent Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.51–2.64 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Ni atoms.