cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1205644
title: Materials Data on LaSb5O12 by Materials Project

description: LaSb5O12 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share faces with six equivalent SbO6 octahedra. There are six shorter (2.70 Å) and six longer (2.74 Å) La–O bond lengths. There are two inequivalent Sb+4.20+ sites. In the first Sb+4.20+ site, Sb+4.20+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent SbO6 octahedra and faces with two equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 46°. All Sb–O bond lengths are 2.01 Å. In the second Sb+4.20+ site, Sb+4.20+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Sb+4.20+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two equivalent Sb+4.20+ atoms.
DOI: 10.17188/1205645
title: Materials Data on Ca(NO3)2 by Materials Project

description: Ca(NO3)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ca2+ is bonded in a 12-coordinate geometry to six equivalent O2- atoms. All Ca–O bond lengths are 2.50 Å. N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. O2- is bonded in a distorted water-like geometry to one Ca2+ and one N5+ atom.
DOI: 10.17188/1205646
title: Materials Data on CeAgSn by Materials Project

description: CeAgSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Sn atoms. There are three shorter (3.19 Å) and three longer (3.58 Å) Ce–Ag bond lengths. There are three shorter (3.28 Å) and three longer (3.47 Å) Ce–Sn bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Sn atoms. There are three shorter (2.85 Å) and one longer (3.22 Å) Ag–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Ag atoms.
DOI: 10.17188/1205647
title: Materials Data on PrAgSn by Materials Project

description: PrAgSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Sn atoms. There are three shorter (3.19 Å) and three longer (3.64 Å) Pr–Ag bond lengths. There are three shorter (3.28 Å) and three longer (3.53 Å) Pr–Sn bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Sn atoms. There are three shorter (2.86 Å) and one longer (3.24 Å) Ag–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Ag atoms.
DOI: 10.17188/1205648
title: Materials Data on TbAgSn by Materials Project

description: TbAgSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Sn atoms. There are three shorter (3.08 Å) and three longer (3.59 Å) Tb–Ag bond lengths. There are three shorter (3.20 Å) and three longer (3.44 Å) Tb–Sn bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Sn atoms. There are three shorter (2.83 Å) and one longer (3.04 Å) Ag–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Ag atoms.
DOI: 10.17188/1205649
title: Materials Data on Ho3(CuSi)4 by Materials Project

description: Ho3Cu4Si4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are two shorter (2.94 Å) and four longer (2.97 Å) Ho–Si bond lengths. In the second Ho3+ site, Ho3+ is bonded to six Si4- atoms to form edge-sharing HoSi6 octahedra. There are four shorter (2.91 Å) and two longer (2.95 Å) Ho–Si bond lengths. Cu+1.75+ is bonded in a 4-coordinate geometry to one Cu+1.75+ and four Si4- atoms. The Cu–Cu bond length is 2.50 Å. There are a spread of Cu–Si bond distances ranging from 2.44–2.56 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six Ho3+, two equivalent Cu+1.75+, and one Si4- atom. The Si–Si bond length is 2.42 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to three Ho3+ and six equivalent Cu+1.75+ atoms.
DOI: 10.17188/1205650
title: Materials Data on HoInNi by Materials Project

description: HoNiIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Ni and six equivalent In atoms. There are four shorter (2.93 Å) and one longer (3.06 Å) Ho–Ni bond lengths. There are two shorter (3.12 Å) and four longer (3.27 Å) Ho–In bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent In atoms. All Ni–In bond lengths are 2.82 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent In atoms. All Ni–In bond lengths are 2.68 Å. In is bonded in a 10-coordinate geometry to six equivalent Ho and four Ni atoms.
DOI: 10.17188/1205651
title: Materials Data on ErInNi by Materials Project

description: ErNiIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Ni and six equivalent In atoms. There are four shorter (2.92 Å) and one longer (3.05 Å) Er–Ni bond lengths. There are two shorter (3.11 Å) and four longer (3.26 Å) Er–In bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent In atoms. All Ni–In bond lengths are 2.81 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent In atoms. All Ni–In bond lengths are 2.67 Å. In is bonded in a 10-coordinate geometry to six equivalent Er and four Ni atoms.
DOI: 10.17188/1205652
title: Materials Data on UGa3Ni by Materials Project

description: UNiGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to four equivalent Ni and twelve Ga atoms. All U–Ni bond lengths are 3.32 Å. There are eight shorter (3.12 Å) and four longer (3.32 Å) U–Ga bond lengths. Ni is bonded to four equivalent U and eight Ga atoms to form distorted NiU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga4Ni4 cuboctahedra, corners with twelve equivalent NiU4Ga8 cuboctahedra, edges with two equivalent GaU4Ga4Ni4 cuboctahedra, faces with four equivalent NiU4Ga8 cuboctahedra, and faces with four equivalent GaU4Ga4Ni4 cuboctahedra. There are four shorter (2.47 Å) and four longer (2.88 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent U, two equivalent Ni, and three Ga atoms. There are one shorter (2.44 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent U, four equivalent Ni, and four equivalent Ga atoms to form GaU4Ga4Ni4 cuboctahedra that share corners with four equivalent NiU4Ga8 cuboctahedra, corners with twelve equivalent GaU4Ga4Ni4 cuboctahedra, edges with two equivalent NiU4Ga8 cuboctahedra, faces with four equivalent NiU4Ga8 cuboctahedra, and faces with four equivalent GaU4Ga4Ni4 cuboctahedra.
DOI: 10.17188/1205654
title: Materials Data on Na2In by Materials Project

description: Na2In crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are five inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to two equivalent Na and four In atoms. Both Na–Na bond lengths are 3.41 Å. There are two shorter (3.34 Å) and two longer (3.44 Å) Na–In bond lengths. In the second Na site, Na is bonded in a 12-coordinate geometry to six Na and six In atoms. There are a spread of Na–Na bond distances ranging from 3.33–3.58 Å. There are a spread of Na–In bond distances ranging from 3.32–3.61 Å. In the third Na site, Na is bonded in a 1-coordinate geometry to eight Na and five In atoms. There are a spread of Na–Na bond distances ranging from 3.55–3.99 Å. There are a spread of Na–In bond distances ranging from 3.39–3.72 Å. In the fourth Na site, Na is bonded in a 4-coordinate geometry to three Na and four In atoms. There are a spread of Na–In bond distances ranging from 3.21–3.33 Å. In the fifth Na site, Na is bonded in a 3-coordinate geometry to four Na and three In atoms. There are a spread of Na–In bond distances ranging from 3.33–3.48 Å. There are two inequivalent In sites. In the first In site, In is bonded to nine Na and three In atoms to form a mixture of distorted face and corner-sharing InNa9In3 cuboctahedra. There are two shorter (3.12 Å) and one longer (3.21 Å) In–In bond lengths. In the second In site, In is bonded in a 11-coordinate geometry to eight Na and three In atoms. The In–In bond length is 3.19 Å.
DOI: 10.17188/1205655
title: Materials Data on LuNiSn4 by Materials Project

description: LuNiSn4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Lu is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Lu–Sn bond distances ranging from 3.19–3.43 Å. Ni is bonded in a distorted body-centered cubic geometry to eight Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.67–2.76 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent Lu and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.03 Å. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Lu and two equivalent Ni atoms. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Lu and two equivalent Ni atoms.
DOI: 10.17188/1205656
title: Materials Data on Np3Al by Materials Project

description: Np3Al is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np is bonded to eight equivalent Np and four equivalent Al atoms to form NpNp8Al4 cuboctahedra that share corners with twelve equivalent NpNp8Al4 cuboctahedra, edges with eight equivalent AlNp12 cuboctahedra, edges with sixteen equivalent NpNp8Al4 cuboctahedra, faces with four equivalent AlNp12 cuboctahedra, and faces with fourteen equivalent NpNp8Al4 cuboctahedra. All Np–Np bond lengths are 3.05 Å. All Np–Al bond lengths are 3.05 Å. Al is bonded to twelve equivalent Np atoms to form AlNp12 cuboctahedra that share corners with twelve equivalent AlNp12 cuboctahedra, edges with twenty-four equivalent NpNp8Al4 cuboctahedra, faces with six equivalent AlNp12 cuboctahedra, and faces with twelve equivalent NpNp8Al4 cuboctahedra.
DOI: 10.17188/1205657
title: Materials Data on TbGe2Pd by Materials Project

description: TbPdGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to four equivalent Pd and ten Ge atoms. All Tb–Pd bond lengths are 3.27 Å. There are a spread of Tb–Ge bond distances ranging from 3.27–3.41 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to six equivalent Pd and eight Ge atoms. There are four shorter (3.22 Å) and two longer (3.33 Å) Tb–Pd bond lengths. There are six shorter (3.03 Å) and two longer (3.09 Å) Tb–Ge bond lengths. Pd is bonded in a 10-coordinate geometry to five Tb and five Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.49–2.70 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four Tb, three equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.64 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Tb, two equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.45 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Tb, two equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.47 Å.
DOI: 10.17188/1205658
title: Materials Data on YZrSb by Materials Project

description: YZrSb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded to five equivalent Sb atoms to form a mixture of distorted edge and corner-sharing YSb5 trigonal bipyramids. There are four shorter (3.11 Å) and one longer (3.17 Å) Y–Sb bond lengths. Zr is bonded in a distorted square co-planar geometry to four equivalent Sb atoms. All Zr–Sb bond lengths are 3.08 Å. Sb is bonded in a 9-coordinate geometry to five equivalent Y and four equivalent Zr atoms.
DOI: 10.17188/1205659
title: Materials Data on HoNbO4 by Materials Project

description: HoNbO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.32–2.41 Å. Nb5+ is bonded to six O2- atoms to form distorted edge-sharing NbO6 tetrahedra. There are a spread of Nb–O bond distances ranging from 1.88–2.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ho3+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+ and two equivalent Nb5+ atoms.
DOI: 10.17188/1205660
title: Materials Data on LuZrSb by Materials Project

description: LuZrSb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded to five equivalent Sb atoms to form a mixture of distorted edge and corner-sharing LuSb5 square pyramids. All Lu–Sb bond lengths are 3.08 Å. Zr is bonded in a distorted square co-planar geometry to four equivalent Sb atoms. All Zr–Sb bond lengths are 3.08 Å. Sb is bonded in a 9-coordinate geometry to five equivalent Lu and four equivalent Zr atoms.
DOI: 10.17188/1205661
title: Materials Data on Li2GaIr by Materials Project

description: Li2IrGa crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to six equivalent Ir and four equivalent Ga atoms to form distorted LiGa4Ir6 tetrahedra that share corners with eighteen LiIr4 tetrahedra and faces with sixteen LiGa4Ir6 tetrahedra. All Li–Ir bond lengths are 3.00 Å. All Li–Ga bond lengths are 2.60 Å. In the second Li site, Li is bonded to four equivalent Ir atoms to form distorted LiIr4 tetrahedra that share corners with twenty-four LiIr4 tetrahedra and faces with four equivalent LiGa4Ir6 tetrahedra. All Li–Ir bond lengths are 2.60 Å. Ir is bonded in a distorted body-centered cubic geometry to ten Li and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.60 Å. Ga is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms.
DOI: 10.17188/1205662
title: Materials Data on Li2InRh by Materials Project

description: Li2RhIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent In atoms to form distorted corner-sharing LiIn4 tetrahedra. All Li–In bond lengths are 2.74 Å. In the second Li site, Li is bonded to four equivalent Rh atoms to form distorted corner-sharing LiRh4 tetrahedra. All Li–Rh bond lengths are 2.74 Å. Rh is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent In atoms. All Rh–In bond lengths are 2.74 Å. In is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Rh atoms.
DOI: 10.17188/1205663
title: Materials Data on Li2InIr by Materials Project

description: Li2IrIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to six equivalent Ir and four equivalent In atoms to form distorted LiIn4Ir6 tetrahedra that share corners with eighteen LiIr4 tetrahedra and faces with sixteen LiIn4Ir6 tetrahedra. All Li–Ir bond lengths are 3.16 Å. All Li–In bond lengths are 2.74 Å. In the second Li site, Li is bonded to four equivalent Ir atoms to form distorted LiIr4 tetrahedra that share corners with twenty-four LiIr4 tetrahedra and faces with four equivalent LiIn4Ir6 tetrahedra. All Li–Ir bond lengths are 2.74 Å. Ir is bonded in a distorted body-centered cubic geometry to ten Li and four equivalent In atoms. All Ir–In bond lengths are 2.74 Å. In is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms.
DOI: 10.17188/1205664
title: Materials Data on TbAgPb by Materials Project

description: TbAgPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Pb atoms. There are three shorter (3.12 Å) and three longer (3.67 Å) Tb–Ag bond lengths. There are three shorter (3.25 Å) and three longer (3.50 Å) Tb–Pb bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Pb atoms. There are three shorter (2.88 Å) and one longer (3.06 Å) Ag–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Ag atoms.
DOI: 10.17188/1205665
title: Materials Data on HoAgPb by Materials Project

description: HoAgPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Pb atoms. There are three shorter (3.10 Å) and three longer (3.67 Å) Ho–Ag bond lengths. There are three shorter (3.24 Å) and three longer (3.48 Å) Ho–Pb bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Pb atoms. There are three shorter (2.88 Å) and one longer (3.02 Å) Ag–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Ag atoms.
DOI: 10.17188/1205666
title: Materials Data on ZrCoBi by Materials Project

description: ZrCoBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to four equivalent Co and six equivalent Bi atoms. All Zr–Co bond lengths are 2.70 Å. All Zr–Bi bond lengths are 3.12 Å. Co is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Bi atoms. All Co–Bi bond lengths are 2.70 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Zr and four equivalent Co atoms.
DOI: 10.17188/1205667
title: Materials Data on ZrNiBi by Materials Project

description: ZrNiBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Bi atoms. All Zr–Ni bond lengths are 2.72 Å. All Zr–Bi bond lengths are 3.15 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.72 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Zr and four equivalent Ni atoms.
DOI: 10.17188/1205668
title: Materials Data on NbSbRh by Materials Project

description: NbRhSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb is bonded to four equivalent Rh and six equivalent Sb atoms to form a mixture of distorted face and corner-sharing NbSb6Rh4 tetrahedra. All Nb–Rh bond lengths are 2.70 Å. All Nb–Sb bond lengths are 3.12 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent Sb atoms. All Rh–Sb bond lengths are 2.70 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Nb and four equivalent Rh atoms.
DOI: 10.17188/1205669
title: Materials Data on TaSbRu by Materials Project

description: TaRuSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ta is bonded to four equivalent Ru and six equivalent Sb atoms to form a mixture of distorted face and corner-sharing TaSb6Ru4 tetrahedra. All Ta–Ru bond lengths are 2.68 Å. All Ta–Sb bond lengths are 3.10 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Ta and four equivalent Sb atoms. All Ru–Sb bond lengths are 2.68 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Ta and four equivalent Ru atoms.
DOI: 10.17188/1205670
title: Materials Data on VSbRu by Materials Project

description: VRuSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. V is bonded to four equivalent Ru and six equivalent Sb atoms to form a mixture of distorted corner and face-sharing VSb6Ru4 tetrahedra. All V–Ru bond lengths are 2.62 Å. All V–Sb bond lengths are 3.02 Å. Ru is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Sb atoms. All Ru–Sb bond lengths are 2.62 Å. Sb is bonded in a 10-coordinate geometry to six equivalent V and four equivalent Ru atoms.
DOI: 10.17188/1205671
title: Materials Data on HfSbRu by Materials Project

description: HfRuSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded to four equivalent Ru and six equivalent Sb atoms to form a mixture of distorted face and corner-sharing HfSb6Ru4 tetrahedra. All Hf–Ru bond lengths are 2.74 Å. All Hf–Sb bond lengths are 3.16 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Sb atoms. All Ru–Sb bond lengths are 2.74 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Hf and four equivalent Ru atoms.
DOI: 10.17188/1205672
title: Materials Data on ZrSbRu by Materials Project

description: SbRuZr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded to four equivalent Ru and six equivalent Sb atoms to form a mixture of distorted face and corner-sharing ZrSb6Ru4 tetrahedra. All Zr–Ru bond lengths are 2.75 Å. All Zr–Sb bond lengths are 3.18 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Sb atoms. All Ru–Sb bond lengths are 2.75 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Zr and four equivalent Ru atoms.
DOI: 10.17188/1205673
title: Materials Data on TiSbRu by Materials Project

description: TiRuSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded to four equivalent Ru and six equivalent Sb atoms to form a mixture of distorted corner and face-sharing TiSb6Ru4 tetrahedra. All Ti–Ru bond lengths are 2.67 Å. All Ti–Sb bond lengths are 3.08 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Sb atoms. All Ru–Sb bond lengths are 2.67 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Ti and four equivalent Ru atoms.
DOI: 10.17188/1205674
title: Materials Data on TaCoSb by Materials Project

description: TaCoSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ta is bonded in a 4-coordinate geometry to four equivalent Co and six equivalent Sb atoms. All Ta–Co bond lengths are 2.58 Å. All Ta–Sb bond lengths are 2.98 Å. Co is bonded in a body-centered cubic geometry to four equivalent Ta and four equivalent Sb atoms. All Co–Sb bond lengths are 2.58 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Ta and four equivalent Co atoms.