cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1355017
title: Materials Data on Na2ZnS2 by Materials Project

description: Na2ZnS2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Na–S bond distances ranging from 2.79–3.35 Å. In the second Na1+ site, Na1+ is bonded to four equivalent S2- atoms to form distorted NaS4 tetrahedra that share corners with four equivalent NaS4 tetrahedra, corners with four equivalent ZnS4 tetrahedra, and edges with four equivalent NaS4 tetrahedra. There are a spread of Na–S bond distances ranging from 2.83–2.87 Å. Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with four equivalent NaS4 tetrahedra, corners with four equivalent ZnS4 tetrahedra, and an edgeedge with one ZnS4 tetrahedra. There are a spread of Zn–S bond distances ranging from 2.30–2.45 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Na1+ and three equivalent Zn2+ atoms. In the second S2- site, S2- is bonded to six Na1+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing SNa6Zn pentagonal bipyramids.
DOI: 10.17188/1355018
title: Materials Data on Na2Zn3S4 by Materials Project

description: Na2Zn3S4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to eight equivalent S2- atoms. There are a spread of Na–S bond distances ranging from 3.05–3.48 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the second Zn2+ site, Zn2+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing ZnS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.48 Å) Zn–S bond lengths. S2- is bonded in a 7-coordinate geometry to four equivalent Na1+ and three Zn2+ atoms.
DOI: 10.17188/1355020
title: Materials Data on SiPt2 by Materials Project

description: Pt2Si crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 5-coordinate geometry to five Si4+ atoms. There are one shorter (2.49 Å) and four longer (2.73 Å) Pt–Si bond lengths. In the second Pt2- site, Pt2- is bonded to four Si4+ atoms to form a mixture of distorted edge and corner-sharing PtSi4 tetrahedra. There are two shorter (2.39 Å) and two longer (2.57 Å) Pt–Si bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a 3-coordinate geometry to nine Pt2- atoms. In the second Si4+ site, Si4+ is bonded in a 9-coordinate geometry to nine Pt2- atoms.
DOI: 10.17188/1355021
title: Materials Data on K2Sn3O7 by Materials Project

description: K2Sn3O7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.82–2.93 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.76–2.85 Å. There are three inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–51°. There are a spread of Sn–O bond distances ranging from 2.00–2.20 Å. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Sn–O bond distances ranging from 2.07–2.16 Å. In the third Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of Sn–O bond distances ranging from 2.05–2.25 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Sn4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and three Sn4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Sn4+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three equivalent Sn4+ atoms. In the fifth O2- site, O2- is bonded to three equivalent K1+ and two equivalent Sn4+ atoms to form distorted edge-sharing OK3Sn2 square pyramids. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Sn4+ atoms. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to three K1+ and two equivalent Sn4+ atoms.
DOI: 10.17188/1355023
title: Materials Data on Na2Zn3S4 by Materials Project

description: Na2Zn3S4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Na–S bond distances ranging from 2.80–3.46 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. There are a spread of Zn–S bond distances ranging from 2.34–2.49 Å. In the second Zn2+ site, Zn2+ is bonded in a distorted linear geometry to four equivalent S2- atoms. There are two shorter (2.18 Å) and two longer (3.16 Å) Zn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Na1+ and three Zn2+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Na1+ and three equivalent Zn2+ atoms.
DOI: 10.17188/1355024
title: Materials Data on Na2ZnS2 by Materials Project

description: Na2ZnS2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Na–S bond distances ranging from 2.77–3.37 Å. In the second Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Na–S bond distances ranging from 2.72–3.05 Å. Zn2+ is bonded to four S2- atoms to form a mixture of distorted edge and corner-sharing ZnS4 trigonal pyramids. There are a spread of Zn–S bond distances ranging from 2.25–2.92 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Na1+ and one Zn2+ atom. In the second S2- site, S2- is bonded in a 7-coordinate geometry to five Na1+ and three equivalent Zn2+ atoms.
DOI: 10.17188/1355177
title: Materials Data on TlSiPt5 by Materials Project

description: Pt5TlSi crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.60+ sites. In the first Pt+0.60+ site, Pt+0.60+ is bonded to two equivalent Tl1+ and two equivalent Si4- atoms to form a mixture of corner and edge-sharing PtTl2Si2 tetrahedra. Both Pt–Tl bond lengths are 2.97 Å. Both Pt–Si bond lengths are 2.47 Å. In the second Pt+0.60+ site, Pt+0.60+ is bonded in a square co-planar geometry to four equivalent Tl1+ atoms. All Pt–Tl bond lengths are 2.84 Å. Tl1+ is bonded to twelve Pt+0.60+ atoms to form a mixture of corner and face-sharing TlPt12 cuboctahedra. Si4- is bonded in a body-centered cubic geometry to eight equivalent Pt+0.60+ atoms.
DOI: 10.17188/1355178
title: Materials Data on LiYb(CuP)2 by Materials Project

description: LiYb(CuP)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Cu1+ and six equivalent P3- atoms to form LiCu6P6 cuboctahedra that share corners with twelve equivalent YbP6 octahedra, faces with six equivalent LiCu6P6 cuboctahedra, and faces with two equivalent YbP6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li–Cu bond lengths are 2.54 Å. All Li–P bond lengths are 2.75 Å. Yb3+ is bonded to six equivalent P3- atoms to form YbP6 octahedra that share corners with twelve equivalent LiCu6P6 cuboctahedra, edges with six equivalent YbP6 octahedra, and faces with two equivalent LiCu6P6 cuboctahedra. All Yb–P bond lengths are 2.92 Å. Cu1+ is bonded in a 7-coordinate geometry to three equivalent Li1+ and four equivalent P3- atoms. There are three shorter (2.34 Å) and one longer (2.59 Å) Cu–P bond lengths. P3- is bonded in a 10-coordinate geometry to three equivalent Li1+, three equivalent Yb3+, and four equivalent Cu1+ atoms.
DOI: 10.17188/1355179
title: Materials Data on SmGa2Ni by Materials Project

description: SmNiGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to four equivalent Ni and ten Ga atoms. All Sm–Ni bond lengths are 3.17 Å. There are a spread of Sm–Ga bond distances ranging from 3.15–3.29 Å. Ni is bonded in a 10-coordinate geometry to four equivalent Sm, one Ni, and five Ga atoms. The Ni–Ni bond length is 2.56 Å. There are a spread of Ni–Ga bond distances ranging from 2.37–2.44 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to six equivalent Sm, one Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.51 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Sm and four equivalent Ni atoms. In the third Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Sm and four equivalent Ni atoms.
DOI: 10.17188/1355180
title: Materials Data on Co2NiSe4 by Materials Project

description: Co2NiSe4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Co3+ is bonded to six Se2- atoms to form CoSe6 octahedra that share corners with six equivalent NiSe6 octahedra, edges with six equivalent CoSe6 octahedra, and a faceface with one NiSe6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There are a spread of Co–Se bond distances ranging from 2.35–2.48 Å. Ni2+ is bonded to six Se2- atoms to form NiSe6 octahedra that share corners with twelve equivalent CoSe6 octahedra, edges with two equivalent NiSe6 octahedra, and faces with two equivalent CoSe6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There are two shorter (2.47 Å) and four longer (2.49 Å) Ni–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Co3+ and two equivalent Ni2+ atoms. In the second Se2- site, Se2- is bonded to three equivalent Co3+ and one Ni2+ atom to form a mixture of distorted edge and corner-sharing SeCo3Ni trigonal pyramids.
DOI: 10.17188/1355181
title: Materials Data on InPPt5 by Materials Project

description: Pt5InP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a 4-coordinate geometry to two equivalent In1+ and two equivalent P5+ atoms. Both Pt–In bond lengths are 2.90 Å. Both Pt–P bond lengths are 2.46 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a distorted square co-planar geometry to four equivalent In1+ atoms. All Pt–In bond lengths are 2.83 Å. In1+ is bonded to twelve Pt+1.20- atoms to form a mixture of face and corner-sharing InPt12 cuboctahedra. P5+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.
DOI: 10.17188/1355182
title: Materials Data on FeCu2SiSe4 by Materials Project

description: Cu2FeSiSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Fe2+ is bonded to four equivalent Se2- atoms to form FeSe4 tetrahedra that share corners with four equivalent SiSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Fe–Se bond lengths are 2.45 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent FeSe4 tetrahedra, corners with four equivalent CuSe4 tetrahedra, and corners with four equivalent SiSe4 tetrahedra. All Cu–Se bond lengths are 2.42 Å. Si4+ is bonded to four equivalent Se2- atoms to form SiSe4 tetrahedra that share corners with four equivalent FeSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Si–Se bond lengths are 2.35 Å. Se2- is bonded to one Fe2+, two equivalent Cu1+, and one Si4+ atom to form corner-sharing SeFeCu2Si tetrahedra.
DOI: 10.17188/1355183
title: Materials Data on La2Re2Si2C by Materials Project

description: La2Re2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. La3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are one shorter (3.18 Å) and four longer (3.25 Å) La–Si bond lengths. Both La–C bond lengths are 2.77 Å. Re3+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. There are one shorter (2.46 Å) and two longer (2.47 Å) Re–Si bond lengths. The Re–C bond length is 1.96 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent La3+ and three equivalent Re3+ atoms. C4- is bonded to four equivalent La3+ and two equivalent Re3+ atoms to form edge-sharing CLa4Re2 octahedra.
DOI: 10.17188/1355184
title: Materials Data on PrIn5Rh by Materials Project

description: PrRhIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr is bonded to twelve In atoms to form PrIn12 cuboctahedra that share corners with four equivalent PrIn12 cuboctahedra, faces with four equivalent PrIn12 cuboctahedra, and faces with four equivalent InPr4In8 cuboctahedra. There are eight shorter (3.31 Å) and four longer (3.34 Å) Pr–In bond lengths. Rh is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Rh–In bond lengths are 2.79 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Pr, two equivalent Rh, and two equivalent In atoms. Both In–In bond lengths are 3.31 Å. In the second In site, In is bonded to four equivalent Pr and eight equivalent In atoms to form distorted InPr4In8 cuboctahedra that share corners with four equivalent InPr4In8 cuboctahedra, faces with four equivalent PrIn12 cuboctahedra, and faces with four equivalent InPr4In8 cuboctahedra.
DOI: 10.17188/1355185
title: Materials Data on Dy2Cr2C3 by Materials Project

description: Dy2Cr2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Dy3+ is bonded in a 5-coordinate geometry to five C4- atoms. There are three shorter (2.47 Å) and two longer (2.66 Å) Dy–C bond lengths. Cr3+ is bonded to four C4- atoms to form a mixture of corner and edge-sharing CrC4 trigonal pyramids. There are a spread of Cr–C bond distances ranging from 1.90–2.00 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a 6-coordinate geometry to three equivalent Dy3+ and three equivalent Cr3+ atoms. In the second C4- site, C4- is bonded to four equivalent Dy3+ and two equivalent Cr3+ atoms to form edge-sharing CDy4Cr2 octahedra.
DOI: 10.17188/1355186
title: Materials Data on V(CrTe2)2 by Materials Project

description: V(CrTe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V2+ is bonded to six Te2- atoms to form VTe6 octahedra that share corners with twelve equivalent CrTe6 octahedra, edges with two equivalent VTe6 octahedra, and faces with two equivalent CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are two shorter (2.77 Å) and four longer (2.79 Å) V–Te bond lengths. Cr3+ is bonded to six Te2- atoms to form CrTe6 octahedra that share corners with six equivalent VTe6 octahedra, edges with six equivalent CrTe6 octahedra, and a faceface with one VTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of Cr–Te bond distances ranging from 2.72–2.85 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent V2+ and three equivalent Cr3+ atoms. In the second Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to one V2+ and three equivalent Cr3+ atoms.
DOI: 10.17188/1355187
title: Materials Data on CoNiSb by Materials Project

description: CoNiSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co1+ is bonded to six equivalent Sb3- atoms to form CoSb6 octahedra that share corners with twelve equivalent CoSb6 octahedra, corners with twelve equivalent NiSb5 trigonal bipyramids, edges with six equivalent CoSb6 octahedra, faces with two equivalent CoSb6 octahedra, and faces with six equivalent NiSb5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. All Co–Sb bond lengths are 2.79 Å. Ni2+ is bonded to five equivalent Sb3- atoms to form NiSb5 trigonal bipyramids that share corners with twelve equivalent CoSb6 octahedra, corners with eight equivalent NiSb5 trigonal bipyramids, edges with six equivalent NiSb5 trigonal bipyramids, and faces with six equivalent CoSb6 octahedra. The corner-sharing octahedra tilt angles range from 29–61°. There are three shorter (2.45 Å) and two longer (2.69 Å) Ni–Sb bond lengths. Sb3- is bonded in a 11-coordinate geometry to six equivalent Co1+ and five equivalent Ni2+ atoms.
DOI: 10.17188/1355188
title: Materials Data on DyInPt4 by Materials Project

description: DyPt4In is Cubic Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy3+ is bonded in a 12-coordinate geometry to twelve equivalent Pt1- atoms. All Dy–Pt bond lengths are 3.17 Å. Pt1- is bonded to three equivalent Dy3+, six equivalent Pt1-, and three equivalent In1+ atoms to form a mixture of edge, face, and corner-sharing PtDy3In3Pt6 cuboctahedra. There are three shorter (2.70 Å) and three longer (2.71 Å) Pt–Pt bond lengths. All Pt–In bond lengths are 3.17 Å. In1+ is bonded in a 12-coordinate geometry to twelve equivalent Pt1- atoms.
DOI: 10.17188/1355189
title: Materials Data on GdCu4Pd by Materials Project

description: GdPdCu4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to four equivalent Pd and twelve equivalent Cu atoms. All Gd–Pd bond lengths are 3.08 Å. All Gd–Cu bond lengths are 2.95 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Gd and twelve equivalent Cu atoms. All Pd–Cu bond lengths are 2.95 Å. Cu is bonded to three equivalent Gd, three equivalent Pd, and six equivalent Cu atoms to form a mixture of edge, face, and corner-sharing CuGd3Cu6Pd3 cuboctahedra. There are three shorter (2.49 Å) and three longer (2.54 Å) Cu–Cu bond lengths.
DOI: 10.17188/1355190
title: Materials Data on TmInCu4 by Materials Project

description: TmInCu4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent In atoms. All Tm–Cu bond lengths are 2.98 Å. All Tm–In bond lengths are 3.11 Å. Cu is bonded to three equivalent Tm, six equivalent Cu, and three equivalent In atoms to form a mixture of edge, corner, and face-sharing CuTm3In3Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.54 Å. All Cu–In bond lengths are 2.98 Å. In is bonded in a 4-coordinate geometry to four equivalent Tm and twelve equivalent Cu atoms.
DOI: 10.17188/1355191
title: Materials Data on RuF6 by Materials Project

description: RuF6 is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is zero-dimensional and consists of two 13693-08-8 molecules. Ru6+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Ru–F bond lengths are 1.86 Å. F1- is bonded in a single-bond geometry to one Ru6+ atom.
DOI: 10.17188/1355192
title: Materials Data on PuB2Rh3 by Materials Project

description: PuRh3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pu is bonded in a 12-coordinate geometry to two equivalent Pu, twelve equivalent Rh, and six equivalent B atoms. Both Pu–Pu bond lengths are 2.93 Å. All Pu–Rh bond lengths are 3.18 Å. All Pu–B bond lengths are 3.26 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Pu and four equivalent B atoms. All Rh–B bond lengths are 2.19 Å. B is bonded in a 6-coordinate geometry to three equivalent Pu and six equivalent Rh atoms.
DOI: 10.17188/1355193
title: Materials Data on PrSn2 by Materials Project

description: PrSn2 is Zirconium Disilicide-like structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Pr–Sn bond distances ranging from 3.26–3.62 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Pr and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.15 Å. In the second Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Pr and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.27 Å. In the third Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Pr and four equivalent Sn atoms.
DOI: 10.17188/1355194
title: Materials Data on HoBC by Materials Project

description: HoBC crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of four HoBC sheets oriented in the (0, 1, 0) direction. Ho is bonded in a distorted square co-planar geometry to four equivalent C atoms. All Ho–C bond lengths are 2.44 Å. B is bonded in a single-bond geometry to one C atom. The B–C bond length is 1.49 Å. C is bonded in a distorted single-bond geometry to four equivalent Ho and one B atom.
DOI: 10.17188/1355195
title: Materials Data on HoGa2Ni by Materials Project

description: HoNiGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 5-coordinate geometry to three equivalent Ni and ten equivalent Ga atoms. There are one shorter (2.85 Å) and two longer (3.02 Å) Ho–Ni bond lengths. There are a spread of Ho–Ga bond distances ranging from 2.98–3.27 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Ga atoms. There are two shorter (2.51 Å) and four longer (2.52 Å) Ni–Ga bond lengths. Ga is bonded in a 12-coordinate geometry to five equivalent Ho and three equivalent Ni atoms.
DOI: 10.17188/1355196
title: Materials Data on CeAl3Pt2 by Materials Project

description: CePt2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a distorted hexagonal planar geometry to six equivalent Pt atoms. All Ce–Pt bond lengths are 3.16 Å. Pt is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Al atoms. All Pt–Al bond lengths are 2.64 Å. Al is bonded in a 12-coordinate geometry to four equivalent Pt atoms.