cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1198944
title: Materials Data on CoSi by Materials Project

description: CoSi is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Co4+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Co–Si bond lengths are 2.41 Å. Si4- is bonded in a body-centered cubic geometry to eight equivalent Co4+ atoms.
DOI: 10.17188/1198945
title: Materials Data on Mn5C2 by Materials Project

description: Mn5C2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 2-coordinate geometry to three equivalent C atoms. There are two shorter (1.97 Å) and one longer (2.23 Å) Mn–C bond lengths. In the second Mn site, Mn is bonded to four equivalent C atoms to form distorted edge-sharing MnC4 tetrahedra. There are two shorter (2.01 Å) and two longer (2.03 Å) Mn–C bond lengths. In the third Mn site, Mn is bonded in a bent 150 degrees geometry to two equivalent C atoms. There is one shorter (1.98 Å) and one longer (2.01 Å) Mn–C bond length. C is bonded in a 7-coordinate geometry to seven Mn atoms.
DOI: 10.17188/1198946
title: Materials Data on UF6 by Materials Project

description: UF6 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four uranium hexafluoride molecules. U6+ is bonded in an octahedral geometry to six F1- atoms. There are five shorter (2.02 Å) and one longer (2.03 Å) U–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one U6+ atom.
DOI: 10.17188/1198947
title: Materials Data on P2Pb3O8 by Materials Project

description: Pb3(PO4)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.35–2.98 Å. In the second Pb2+ site, Pb2+ is bonded in a 12-coordinate geometry to six equivalent O2- atoms. All Pb–O bond lengths are 2.62 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.55 Å) and three longer (1.56 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four Pb2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one P5+ atom.
DOI: 10.17188/1198948
title: Materials Data on FeSn2 by Materials Project

description: FeSn2 is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Fe is bonded in a 10-coordinate geometry to two equivalent Fe and eight equivalent Sn atoms. Both Fe–Fe bond lengths are 2.67 Å. All Fe–Sn bond lengths are 2.81 Å. Sn is bonded in a 4-coordinate geometry to four equivalent Fe atoms.
DOI: 10.17188/1198949
title: Materials Data on UFeC2 by Materials Project

description: UFeC2 is Bixbyite (Mn,Fe)2O4-like structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. U6+ is bonded in a 4-coordinate geometry to eight equivalent C4- atoms. There are four shorter (2.39 Å) and four longer (2.86 Å) U–C bond lengths. Fe2+ is bonded to four equivalent C4- atoms to form distorted corner-sharing FeC4 trigonal pyramids. All Fe–C bond lengths are 1.87 Å. C4- is bonded in a 4-coordinate geometry to four equivalent U6+ and two equivalent Fe2+ atoms.
DOI: 10.17188/1198950
title: Materials Data on TbGeIr by Materials Project

description: TbIrGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Ge atoms. There are a spread of Tb–Ir bond distances ranging from 3.05–3.34 Å. There are two shorter (3.02 Å) and three longer (3.06 Å) Tb–Ge bond lengths. Ir is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Ge atoms. There are three shorter (2.57 Å) and one longer (2.63 Å) Ir–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Ir atoms.
DOI: 10.17188/1198951
title: Materials Data on K2PbO3 by Materials Project

description: K2PbO3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.11 Å. Pb4+ is bonded to five O2- atoms to form distorted edge-sharing PbO5 trigonal bipyramids. There are a spread of Pb–O bond distances ranging from 2.06–2.24 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent K1+ and two equivalent Pb4+ atoms to form a mixture of distorted edge, face, and corner-sharing OK4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 37–52°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Pb4+ atom.
DOI: 10.17188/1198952
title: Materials Data on U(SiIr)2 by Materials Project

description: UIr2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.11 Å) and four longer (3.25 Å) U–Ir bond lengths. There are four shorter (3.14 Å) and four longer (3.17 Å) U–Si bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent U and five Si atoms. There are one shorter (2.35 Å) and four longer (2.41 Å) Ir–Si bond lengths. In the second Ir site, Ir is bonded to four equivalent U and four equivalent Si atoms to form distorted IrU4Si4 tetrahedra that share corners with twelve equivalent SiU4Ir4 tetrahedra, edges with two equivalent SiU4Ir4 tetrahedra, edges with four equivalent IrU4Si4 tetrahedra, and faces with four equivalent IrU4Si4 tetrahedra. All Ir–Si bond lengths are 2.44 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent U and five Ir atoms. In the second Si site, Si is bonded to four equivalent U and four equivalent Ir atoms to form distorted SiU4Ir4 tetrahedra that share corners with twelve equivalent IrU4Si4 tetrahedra, edges with two equivalent IrU4Si4 tetrahedra, edges with four equivalent SiU4Ir4 tetrahedra, and faces with four equivalent SiU4Ir4 tetrahedra.
DOI: 10.17188/1198953
title: Materials Data on CoBW by Materials Project

description: WCoB crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. W2+ is bonded to five equivalent B3- atoms to form distorted WB5 trigonal bipyramids that share corners with eight equivalent CoB4 tetrahedra, corners with eight equivalent WB5 trigonal bipyramids, edges with six equivalent CoB4 tetrahedra, and edges with six equivalent WB5 trigonal bipyramids. There are a spread of W–B bond distances ranging from 2.38–2.43 Å. Co1+ is bonded to four equivalent B3- atoms to form CoB4 tetrahedra that share corners with eight equivalent CoB4 tetrahedra, corners with eight equivalent WB5 trigonal bipyramids, edges with two equivalent CoB4 tetrahedra, and edges with six equivalent WB5 trigonal bipyramids. There are a spread of Co–B bond distances ranging from 2.10–2.22 Å. B3- is bonded in a 9-coordinate geometry to five equivalent W2+ and four equivalent Co1+ atoms.
DOI: 10.17188/1198954
title: Materials Data on La(MnGe)2 by Materials Project

description: LaMn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All La–Ge bond lengths are 3.20 Å. Mn is bonded to four equivalent Ge atoms to form a mixture of edge and corner-sharing MnGe4 tetrahedra. All Mn–Ge bond lengths are 2.45 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.82 Å.
DOI: 10.17188/1198955
title: Materials Data on CeCuSn by Materials Project

description: CeCuSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to six equivalent Cu and six equivalent Sn atoms to form a mixture of edge and face-sharing CeCu6Sn6 cuboctahedra. All Ce–Cu bond lengths are 3.28 Å. All Ce–Sn bond lengths are 3.28 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Sn atoms. All Cu–Sn bond lengths are 2.64 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Cu atoms.
DOI: 10.17188/1198956
title: Materials Data on CoN3 by Materials Project

description: CoN3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Co3+ is bonded to six equivalent N1- atoms to form CoN6 octahedra that share corners with six equivalent CoN6 octahedra and corners with twelve equivalent NCo2N2 tetrahedra. The corner-sharing octahedral tilt angles are 72°. All Co–N bond lengths are 1.94 Å. N1- is bonded to two equivalent Co3+ and two equivalent N1- atoms to form distorted NCo2N2 tetrahedra that share corners with four equivalent CoN6 octahedra, corners with ten equivalent NCo2N2 tetrahedra, and an edgeedge with one NCo2N2 tetrahedra. The corner-sharing octahedra tilt angles range from 64–66°. There is one shorter (1.45 Å) and one longer (1.56 Å) N–N bond length.
DOI: 10.17188/1198957
title: Materials Data on CeSnPt by Materials Project

description: CePtSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Pt and six equivalent Sn atoms. There are four shorter (3.10 Å) and one longer (3.13 Å) Ce–Pt bond lengths. There are two shorter (3.29 Å) and four longer (3.44 Å) Ce–Sn bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.89 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.83 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ce and four Pt atoms.
DOI: 10.17188/1198958
title: Materials Data on Eu2Si3Pd by Materials Project

description: Eu2PdSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Pd and eight equivalent Si atoms to form a mixture of face and edge-sharing EuSi8Pd4 cuboctahedra. All Eu–Pd bond lengths are 3.23 Å. All Eu–Si bond lengths are 3.25 Å. In the second Eu site, Eu is bonded to twelve equivalent Si atoms to form a mixture of face and edge-sharing EuSi12 cuboctahedra. All Eu–Si bond lengths are 3.21 Å. Pd is bonded in a 3-coordinate geometry to six equivalent Eu and three equivalent Si atoms. All Pd–Si bond lengths are 2.44 Å. Si is bonded in a 1-coordinate geometry to six Eu, one Pd, and two equivalent Si atoms. Both Si–Si bond lengths are 2.37 Å.
DOI: 10.17188/1198959
title: Materials Data on CaIn2O4 by Materials Project

description: CaIn2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent O2- atoms to form CaO4 tetrahedra that share corners with twelve equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. All Ca–O bond lengths are 2.25 Å. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent CaO4 tetrahedra and edges with six equivalent InO6 octahedra. All In–O bond lengths are 2.23 Å. O2- is bonded to one Ca2+ and three equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing OCaIn3 trigonal pyramids.
DOI: 10.17188/1198960
title: Materials Data on ThGa4Co by Materials Project

description: ThCoGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th is bonded in a 9-coordinate geometry to two equivalent Co and thirteen Ga atoms. Both Th–Co bond lengths are 3.25 Å. There are a spread of Th–Ga bond distances ranging from 3.03–3.36 Å. Co is bonded in a 7-coordinate geometry to two equivalent Th and seven Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.34–2.52 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Th and six Ga atoms. There are four shorter (2.93 Å) and two longer (3.00 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Th, three equivalent Co, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–3.03 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to three equivalent Th, one Co, and eight Ga atoms.
DOI: 10.17188/1198961
title: Materials Data on Nd2Ge2Ir by Materials Project

description: Nd2IrGe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 9-coordinate geometry to three equivalent Ir and six Ge atoms. There are two shorter (3.16 Å) and one longer (3.32 Å) Nd–Ir bond lengths. There are a spread of Nd–Ge bond distances ranging from 2.91–3.51 Å. In the second Nd site, Nd is bonded in a 3-coordinate geometry to one Ir and five equivalent Ge atoms. The Nd–Ir bond length is 2.96 Å. There are a spread of Nd–Ge bond distances ranging from 3.11–3.60 Å. Ir is bonded in a 8-coordinate geometry to four Nd and four Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.51–2.55 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to eight Nd and two equivalent Ir atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Nd, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.59 Å.
DOI: 10.17188/1198962
title: Materials Data on TiCoGe by Materials Project

description: TiCoGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Co and five Ge atoms. There are two shorter (2.76 Å) and four longer (2.98 Å) Ti–Co bond lengths. There are four shorter (2.62 Å) and one longer (2.67 Å) Ti–Ge bond lengths. Co is bonded to six equivalent Ti, two equivalent Co, and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing CoTi6Co2Ge4 cuboctahedra. Both Co–Co bond lengths are 2.60 Å. There are two shorter (2.39 Å) and two longer (2.40 Å) Co–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted q6 geometry to three equivalent Ti and six equivalent Co atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Co atoms.
DOI: 10.17188/1198963
title: Materials Data on KCd(NO2)3 by Materials Project

description: K(NO2)3Cd crystallizes in the cubic Pm-3 space group. The structure is three-dimensional and consists of one cadmium molecule and one K(NO2)3 framework. In the K(NO2)3 framework, K1+ is bonded to twelve equivalent O2- atoms to form edge-sharing KO12 cuboctahedra. All K–O bond lengths are 3.46 Å. N3+ is bonded in a linear geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.25 Å. O2- is bonded in a single-bond geometry to two equivalent K1+ and one N3+ atom.
DOI: 10.17188/1198964
title: Materials Data on Pu(MnSi)2 by Materials Project

description: PuMn2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pu4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Pu–Si bond lengths are 2.96 Å. Mn2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing MnSi4 tetrahedra. All Mn–Si bond lengths are 2.36 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pu4+, four equivalent Mn2+, and one Si4- atom. The Si–Si bond length is 2.37 Å.
DOI: 10.17188/1198965
title: Materials Data on Sr2Nb5O9 by Materials Project

description: Sr2Nb5O9 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with eight equivalent SrO12 cuboctahedra, faces with five equivalent SrO12 cuboctahedra, faces with four equivalent NbO6 octahedra, and faces with four equivalent NbO5 square pyramids. There are a spread of Sr–O bond distances ranging from 2.81–2.97 Å. There are three inequivalent Nb+2.80+ sites. In the first Nb+2.80+ site, Nb+2.80+ is bonded to five O2- atoms to form NbO5 square pyramids that share a cornercorner with one NbO6 octahedra, corners with four equivalent NbO5 square pyramids, and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.11 Å. In the second Nb+2.80+ site, Nb+2.80+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.10 Å) and two longer (2.16 Å) Nb–O bond lengths. In the third Nb+2.80+ site, Nb+2.80+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four equivalent NbO6 octahedra, corners with two equivalent NbO5 square pyramids, and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.97 Å) and four longer (2.10 Å) Nb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to four equivalent Nb+2.80+ atoms. In the second O2- site, O2- is bonded to two equivalent Sr2+ and three Nb+2.80+ atoms to form a mixture of distorted edge and corner-sharing OSr2Nb3 trigonal bipyramids. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two Nb+2.80+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Nb+2.80+ atoms.
DOI: 10.17188/1198966
title: Materials Data on Sr(Sb3Ru)4 by Materials Project

description: Sr(RuSb3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent Sb1- atoms to form SrSb12 cuboctahedra that share faces with eight equivalent RuSb6 octahedra. All Sr–Sb bond lengths are 3.56 Å. Ru+2.50+ is bonded to six equivalent Sb1- atoms to form RuSb6 octahedra that share corners with six equivalent RuSb6 octahedra and faces with two equivalent SrSb12 cuboctahedra. The corner-sharing octahedral tilt angles are 55°. All Ru–Sb bond lengths are 2.65 Å. Sb1- is bonded in a 2-coordinate geometry to one Sr2+, two equivalent Ru+2.50+, and two equivalent Sb1- atoms. There are one shorter (2.97 Å) and one longer (3.00 Å) Sb–Sb bond lengths.
DOI: 10.17188/1198967
title: Materials Data on K2FeCo(CN)6 by Materials Project

description: K2CoFe(CN)6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iron molecules and one K2Co(CN)6 framework. In the K2Co(CN)6 framework, K1+ is bonded in a 12-coordinate geometry to twelve equivalent N3- atoms. All K–N bond lengths are 3.60 Å. Co2+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Co–N bond lengths are 1.98 Å. C+1.83+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a linear geometry to four equivalent K1+, one Co2+, and one C+1.83+ atom.
DOI: 10.17188/1198968
title: Materials Data on NaN3 by Materials Project

description: NaN3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded in a 2-coordinate geometry to ten N+0.33- atoms. There are a spread of Na–N bond distances ranging from 2.39–3.02 Å. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to four equivalent Na1+ and one N+0.33- atom. The N–N bond length is 1.16 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent Na1+ atoms.
DOI: 10.17188/1198969
title: Materials Data on YbSnPt by Materials Project

description: YbPtSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to five Pt and six equivalent Sn atoms. All Yb–Pt bond lengths are 3.05 Å. There are two shorter (3.22 Å) and four longer (3.36 Å) Yb–Sn bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.81 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.82 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Yb and four Pt atoms.
DOI: 10.17188/1198970
title: Materials Data on HgO2 by Materials Project

description: HgO2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two HgO2 ribbons oriented in the (1, 0, 1) direction. Hg is bonded in a linear geometry to two equivalent O atoms. Both Hg–O bond lengths are 2.12 Å. O is bonded in a distorted water-like geometry to one Hg and one O atom. The O–O bond length is 1.48 Å.
DOI: 10.17188/1198971
title: Materials Data on BaIn2Ir by Materials Project

description: BaIrIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 1-coordinate geometry to three equivalent Ir and ten equivalent In atoms. There are one shorter (3.24 Å) and two longer (3.48 Å) Ba–Ir bond lengths. There are a spread of Ba–In bond distances ranging from 3.60–3.77 Å. Ir is bonded in a 9-coordinate geometry to three equivalent Ba and six equivalent In atoms. There are four shorter (2.82 Å) and two longer (2.85 Å) Ir–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Ba, three equivalent Ir, and three equivalent In atoms. There are two shorter (3.14 Å) and one longer (3.19 Å) In–In bond lengths.
DOI: 10.17188/1198972
title: Materials Data on TiNiSn by Materials Project

description: TiNiSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Ni and four equivalent Sn atoms. All Ti–Ni bond lengths are 2.67 Å. All Ti–Sn bond lengths are 2.67 Å. Ni is bonded to four equivalent Ti atoms to form distorted NiTi4 tetrahedra that share corners with four equivalent SnTi4 tetrahedra, corners with twelve equivalent NiTi4 tetrahedra, and edges with six equivalent SnTi4 tetrahedra. Sn is bonded to four equivalent Ti atoms to form distorted SnTi4 tetrahedra that share corners with four equivalent NiTi4 tetrahedra, corners with twelve equivalent SnTi4 tetrahedra, and edges with six equivalent NiTi4 tetrahedra.
DOI: 10.17188/1198973
title: Materials Data on EuPAu by Materials Project

description: EuAuP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent Au1+ and six equivalent P3- atoms to form a mixture of edge and face-sharing EuP6Au6 cuboctahedra. All Eu–Au bond lengths are 3.25 Å. All Eu–P bond lengths are 3.25 Å. Au1+ is bonded in a 3-coordinate geometry to six equivalent Eu2+ and three equivalent P3- atoms. All Au–P bond lengths are 2.50 Å. P3- is bonded in a 3-coordinate geometry to six equivalent Eu2+ and three equivalent Au1+ atoms.