cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1198818
title: Materials Data on Cr2CdSe4 by Materials Project

description: CdCr2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent Se2- atoms to form CrSe6 octahedra that share corners with six equivalent CdSe4 tetrahedra and edges with six equivalent CrSe6 octahedra. All Cr–Se bond lengths are 2.56 Å. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with twelve equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Cd–Se bond lengths are 2.65 Å. Se2- is bonded to three equivalent Cr3+ and one Cd2+ atom to form a mixture of distorted edge and corner-sharing SeCr3Cd tetrahedra.
DOI: 10.17188/1198819
title: Materials Data on Zn(InSe2)2 by Materials Project

description: ZnIn2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with eight InSe4 tetrahedra. All Zn–Se bond lengths are 2.51 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. In the second In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Zn2+ and two In3+ atoms.
DOI: 10.17188/1198820
title: Materials Data on Eu(CdP)2 by Materials Project

description: Eu(CdP)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent P3- atoms to form EuP6 octahedra that share corners with twelve equivalent CdP4 tetrahedra, edges with six equivalent EuP6 octahedra, and edges with six equivalent CdP4 tetrahedra. All Eu–P bond lengths are 3.06 Å. Cd2+ is bonded to four equivalent P3- atoms to form CdP4 tetrahedra that share corners with six equivalent EuP6 octahedra, corners with six equivalent CdP4 tetrahedra, edges with three equivalent EuP6 octahedra, and edges with three equivalent CdP4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–55°. There are three shorter (2.65 Å) and one longer (2.81 Å) Cd–P bond lengths. P3- is bonded to three equivalent Eu2+ and four equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing PEu3Cd4 pentagonal bipyramids.
DOI: 10.17188/1198821
title: Materials Data on Mn2SnW by Materials Project

description: Mn2WSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. W is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All W–Mn bond lengths are 2.64 Å. Mn is bonded in a body-centered cubic geometry to four equivalent W and four equivalent Sn atoms. All Mn–Sn bond lengths are 2.64 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Mn atoms.
DOI: 10.17188/1198822
title: Materials Data on InFe2CuSe4 by Materials Project

description: CuFe2InSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent Se2- atoms to form FeSe4 tetrahedra that share corners with four equivalent FeSe4 tetrahedra, corners with four equivalent CuSe4 tetrahedra, and corners with four equivalent InSe4 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 InSe4 tetrahedra and corners with eight equivalent FeSe4 tetrahedra. All Cu–Se bond lengths are 2.44 Å. In1+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with eight equivalent FeSe4 tetrahedra. All In–Se bond lengths are 2.66 Å. Se2- is bonded to two equivalent Fe3+, one Cu1+, and one In1+ atom to form corner-sharing SeInFe2Cu tetrahedra.
DOI: 10.17188/1198823
title: Materials Data on FeCu2SnSe4 by Materials Project

description: Cu2FeSnSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent Se2- atoms to form FeSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Fe–Se bond lengths are 2.41 Å. Cu+1.50+ 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 SnSe4 tetrahedra. All Cu–Se bond lengths are 2.43 Å. Sn2+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent FeSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Sn–Se bond lengths are 2.67 Å. Se2- is bonded to one Fe3+, two equivalent Cu+1.50+, and one Sn2+ atom to form corner-sharing SeFeCu2Sn tetrahedra.
DOI: 10.17188/1198824
title: Materials Data on Nb3FeS6 by Materials Project

description: FeNb3S6 is Ilmenite-like structured and crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. there are two inequivalent Nb3+ sites. In the first Nb3+ site, Nb3+ is bonded to six equivalent S2- atoms to form distorted NbS6 pentagonal pyramids that share corners with six equivalent FeS6 octahedra and edges with six equivalent NbS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 46°. All Nb–S bond lengths are 2.50 Å. In the second Nb3+ site, Nb3+ is bonded to six equivalent S2- atoms to form distorted NbS6 pentagonal pyramids that share corners with three equivalent FeS6 octahedra, edges with six NbS6 pentagonal pyramids, and a faceface with one FeS6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are three shorter (2.48 Å) and three longer (2.50 Å) Nb–S bond lengths. Fe3+ is bonded to six equivalent S2- atoms to form FeS6 octahedra that share corners with twelve NbS6 pentagonal pyramids and faces with two equivalent NbS6 pentagonal pyramids. All Fe–S bond lengths are 2.31 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three Nb3+ and one Fe3+ atom.
DOI: 10.17188/1198825
title: Materials Data on Gd(SiAu)2 by Materials Project

description: Gd(AuSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd3+ is bonded to eight equivalent Si4- atoms to form GdSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent GdSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent GdSi8 hexagonal bipyramids. All Gd–Si bond lengths are 3.25 Å. Au+2.50+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent GdSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent GdSi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.57 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Gd3+, four equivalent Au+2.50+, and one Si4- atom. The Si–Si bond length is 2.30 Å.
DOI: 10.17188/1198826
title: Materials Data on YNiSn by Materials Project

description: YNiSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Sn atoms. There are a spread of Y–Ni bond distances ranging from 3.03–3.31 Å. There are a spread of Y–Sn bond distances ranging from 3.12–3.22 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.60–2.80 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Ni atoms.
DOI: 10.17188/1198827
title: Materials Data on Y(CuO2)2 by Materials Project

description: (CuO2)(Y)(CuO2) crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.39–2.41 Å. There are two inequivalent Cu+2.50+ sites. In the first Cu+2.50+ site, Cu+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.90 Å) and two longer (1.92 Å) Cu–O bond length. In the second Cu+2.50+ site, Cu+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.90 Å) and two longer (1.91 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+ and two Cu+2.50+ atoms to form a mixture of distorted corner and edge-sharing OY2Cu2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Y3+ and two Cu+2.50+ atoms to form a mixture of distorted corner and edge-sharing OY2Cu2 tetrahedra.
DOI: 10.17188/1198828
title: Materials Data on NiP2 by Materials Project

description: NiP2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent P1- atoms to form NiP6 octahedra that share corners with twelve equivalent NiP6 octahedra and corners with six equivalent PNi3P tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Ni–P bond lengths are 2.28 Å. P1- is bonded to three equivalent Ni2+ and one P1- atom to form distorted PNi3P tetrahedra that share corners with three equivalent NiP6 octahedra and corners with fifteen equivalent PNi3P tetrahedra. The corner-sharing octahedral tilt angles are 78°. The P–P bond length is 2.19 Å.
DOI: 10.17188/1198829
title: Materials Data on CeZnSbO by Materials Project

description: CeZnSbO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce3+ is bonded in a 4-coordinate geometry to four equivalent Sb3- and four equivalent O2- atoms. All Ce–Sb bond lengths are 3.47 Å. All Ce–O bond lengths are 2.38 Å. Zn2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing ZnSb4 tetrahedra. All Zn–Sb bond lengths are 2.75 Å. Sb3- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent Zn2+ atoms. O2- is bonded to four equivalent Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.
DOI: 10.17188/1198830
title: Materials Data on LaTiAgO4 by Materials Project

description: AgLaTiO4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.70 Å. Ti4+ is bonded to five O2- atoms to form distorted TiO5 trigonal bipyramids that share corners with five equivalent AgO5 square pyramids and corners with four equivalent TiO5 trigonal bipyramids. There is one shorter (1.79 Å) and four longer (1.95 Å) Ti–O bond length. Ag1+ is bonded to five equivalent O2- atoms to form distorted AgO5 square pyramids that share corners with four equivalent AgO5 square pyramids, corners with five equivalent TiO5 trigonal bipyramids, and edges with eight equivalent AgO5 square pyramids. There are one shorter (2.36 Å) and four longer (2.66 Å) Ag–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ti4+ and five equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing OTiAg5 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to five equivalent La3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent La3+ and two equivalent Ti4+ atoms.
DOI: 10.17188/1198831
title: Materials Data on YbCoB4 by Materials Project

description: YbCoB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Yb3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Yb–B bond distances ranging from 2.56–2.68 Å. Co3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.16–2.26 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Yb3+, two equivalent Co3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.72–1.85 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Yb3+, four equivalent Co3+, and three B+1.50- atoms. There is one shorter (1.68 Å) and one longer (1.71 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Yb3+, two equivalent Co3+, and three B+1.50- atoms. The B–B bond length is 1.79 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Yb3+, two equivalent Co3+, and three B+1.50- atoms. The B–B bond length is 1.80 Å.
DOI: 10.17188/1198832
title: Materials Data on Ce3(CuGe)4 by Materials Project

description: Ce3Cu4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to six Ge atoms to form distorted edge-sharing CeGe6 octahedra. There are four shorter (3.00 Å) and two longer (3.06 Å) Ce–Ge bond lengths. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.05 Å) and two longer (3.11 Å) Ce–Cu bond lengths. There are two shorter (3.06 Å) and four longer (3.14 Å) Ce–Ge bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Ce, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.50 Å. There are a spread of Cu–Ge bond distances ranging from 2.49–2.66 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Ce and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ce, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.54 Å.
DOI: 10.17188/1198833
title: Materials Data on Cr2CuTe4 by Materials Project

description: CuCr2Te4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent Te2- atoms to form CrTe6 octahedra that share corners with six equivalent CuTe4 tetrahedra and edges with six equivalent CrTe6 octahedra. All Cr–Te bond lengths are 2.72 Å. Cu2+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with twelve equivalent CrTe6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Cu–Te bond lengths are 2.56 Å. Te2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr3+ and one Cu2+ atom.
DOI: 10.17188/1198834
title: Materials Data on OsF6 by Materials Project

description: OsF6 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four osmium hexafluoride molecules. Os6+ is bonded in an octahedral geometry to six F1- atoms. All Os–F bond lengths are 1.87 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom.
DOI: 10.17188/1198835
title: Materials Data on Dy2(Ga3Ru)3 by Materials Project

description: Dy2(RuGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Dy–Ga bond distances ranging from 3.03–3.18 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to eight Ga atoms. There are four shorter (2.61 Å) and four longer (2.63 Å) Ru–Ga bond lengths. In the second Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.55–2.65 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Dy, two equivalent Ru, and six Ga atoms. There are four shorter (2.72 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Dy, three Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.74–2.82 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Dy, two equivalent Ru, and six Ga atoms. There are two shorter (2.77 Å) and one longer (2.78 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Dy, three Ru, and three Ga atoms.
DOI: 10.17188/1198836
title: Materials Data on CsNO3 by Materials Project

description: CsNO3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Cs1+ is bonded to twelve O2- atoms to form a mixture of face, edge, and corner-sharing CsO12 cuboctahedra. There are a spread of Cs–O bond distances ranging from 3.21–3.41 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to four equivalent Cs1+ and one N5+ atom.
DOI: 10.17188/1198837
title: Materials Data on Tb2CoGe2 by Materials Project

description: Tb2CoGe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 9-coordinate geometry to two equivalent Co and seven Ge atoms. There are one shorter (3.16 Å) and one longer (3.25 Å) Tb–Co bond lengths. There are a spread of Tb–Ge bond distances ranging from 2.89–3.11 Å. In the second Tb site, Tb is bonded in a 9-coordinate geometry to four equivalent Co and five Ge atoms. There are two shorter (2.88 Å) and two longer (3.15 Å) Tb–Co bond lengths. There are a spread of Tb–Ge bond distances ranging from 2.92–3.12 Å. Co is bonded in a 10-coordinate geometry to six Tb, one Co, and three Ge atoms. The Co–Co bond length is 2.52 Å. There are two shorter (2.44 Å) and one longer (2.58 Å) Co–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Tb, two equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.62 Å. In the second Ge site, Ge is bonded to six Tb and one Co atom to form distorted edge-sharing GeTb6Co pentagonal bipyramids.
DOI: 10.17188/1198838
title: Materials Data on ScIr2 by Materials Project

description: ScIr2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to twelve equivalent Ir atoms. All Sc–Ir bond lengths are 3.07 Å. Ir is bonded to six equivalent Sc and six equivalent Ir atoms to form a mixture of edge, corner, and face-sharing IrSc6Ir6 cuboctahedra. All Ir–Ir bond lengths are 2.62 Å.
DOI: 10.17188/1198839
title: Materials Data on Co2N by Materials Project

description: Co2N is Hydrophilite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Co+1.50+ is bonded in a distorted trigonal planar geometry to three equivalent N3- atoms. There is one shorter (1.88 Å) and two longer (1.90 Å) Co–N bond length. N3- is bonded to six equivalent Co+1.50+ atoms to form a mixture of corner and edge-sharing NCo6 octahedra. The corner-sharing octahedral tilt angles are 50°.
DOI: 10.17188/1198840
title: Materials Data on Pb3O4 by Materials Project

description: Pb3O4 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. there are two inequivalent Pb+2.67+ sites. In the first Pb+2.67+ site, Pb+2.67+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.18 Å) and four longer (2.25 Å) Pb–O bond lengths. In the second Pb+2.67+ site, Pb+2.67+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.25–2.82 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Pb+2.67+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Pb+2.67+ atoms.
DOI: 10.17188/1198841
title: Materials Data on K4SrU3O12 by Materials Project

description: K4SrU3O12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, faces with two equivalent SrO6 octahedra, and faces with six equivalent UO6 octahedra. There are six shorter (3.10 Å) and six longer (3.11 Å) K–O bond lengths. Sr2+ is bonded to six equivalent O2- atoms to form SrO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–O bond lengths are 2.44 Å. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent SrO6 octahedra, corners with four equivalent UO6 octahedra, and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.95 Å) and four longer (2.19 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent K1+, one Sr2+, and one U6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent U6+ atoms.
DOI: 10.17188/1198842
title: Materials Data on TaNiGe by Materials Project

description: TaNiGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta is bonded in a 5-coordinate geometry to six equivalent Ni and five equivalent Ge atoms. There are a spread of Ta–Ni bond distances ranging from 2.86–2.99 Å. There are a spread of Ta–Ge bond distances ranging from 2.69–2.72 Å. Ni is bonded in a 4-coordinate geometry to six equivalent Ta and four equivalent Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.35–2.41 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ta and four equivalent Ni atoms.
DOI: 10.17188/1198843
title: Materials Data on HfNbP by Materials Project

description: HfNbP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 4-coordinate geometry to five equivalent P atoms. There are a spread of Hf–P bond distances ranging from 2.70–3.04 Å. Nb is bonded in a 4-coordinate geometry to four equivalent P atoms. There are a spread of Nb–P bond distances ranging from 2.54–2.70 Å. P is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Nb atoms.
DOI: 10.17188/1198844
title: Materials Data on U(NiP)2 by Materials Project

description: UNi2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U3+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All U–P bond lengths are 2.88 Å. Ni+1.50+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. All Ni–P bond lengths are 2.28 Å. P3- is bonded in a 9-coordinate geometry to four equivalent U3+, four equivalent Ni+1.50+, and one P3- atom. The P–P bond length is 2.38 Å.