cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1350366
title: Materials Data on Na2Cl by Materials Project

description: Na2Cl crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to four equivalent Na and four equivalent Cl atoms. All Na–Na bond lengths are 3.81 Å. All Na–Cl bond lengths are 3.02 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Cl atoms. All Na–Cl bond lengths are 3.08 Å. In the third Na site, Na is bonded to twelve Na atoms to form a mixture of face and corner-sharing NaNa12 cuboctahedra. All Na–Na bond lengths are 3.56 Å. Cl is bonded in a body-centered cubic geometry to eight Na atoms.
DOI: 10.17188/1350367
title: Materials Data on YPd3C by Materials Project

description: YPd3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to twelve equivalent Pd atoms to form YPd12 cuboctahedra that share corners with twelve equivalent YPd12 cuboctahedra, faces with six equivalent YPd12 cuboctahedra, and faces with eight equivalent CPd6 octahedra. All Y–Pd bond lengths are 3.04 Å. Pd is bonded to four equivalent Y and two equivalent C atoms to form a mixture of distorted corner, edge, and face-sharing PdY4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–C bond lengths are 2.15 Å. C is bonded to six equivalent Pd atoms to form CPd6 octahedra that share corners with six equivalent CPd6 octahedra and faces with eight equivalent YPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1350368
title: Materials Data on ReN2 by Materials Project

description: ReN2 is Brookite-like structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Re6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing ReN6 octahedra. The corner-sharing octahedra tilt angles range from 31–57°. There are a spread of Re–N bond distances ranging from 1.86–2.29 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to three equivalent Re6+ atoms. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to three equivalent Re6+ atoms.
DOI: 10.17188/1350369
title: Materials Data on MnCoSb by Materials Project

description: CoMnSb is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Mn2+ is bonded to five equivalent Sb3- atoms to form a mixture of distorted edge and corner-sharing MnSb5 square pyramids. There are one shorter (2.79 Å) and four longer (2.86 Å) Mn–Sb bond lengths. Co1+ is bonded in a 4-coordinate geometry to four equivalent Sb3- atoms. All Co–Sb bond lengths are 2.62 Å. Sb3- is bonded in a 9-coordinate geometry to five equivalent Mn2+ and four equivalent Co1+ atoms.
DOI: 10.17188/1350370
title: Materials Data on ErTlZn by Materials Project

description: ErZnTl is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded to six equivalent Zn and six equivalent Tl atoms to form a mixture of edge and face-sharing ErTl6Zn6 cuboctahedra. All Er–Zn bond lengths are 3.25 Å. All Er–Tl bond lengths are 3.25 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Tl atoms. All Zn–Tl bond lengths are 2.72 Å. Tl is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Zn atoms.
DOI: 10.17188/1350371
title: Materials Data on Li3SmSb2 by Materials Project

description: Li3SmSb2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent Sb3- atoms to form LiSb4 tetrahedra that share corners with three equivalent LiSb6 octahedra, corners with six equivalent SmSb6 octahedra, corners with six equivalent LiSb4 tetrahedra, edges with three equivalent SmSb6 octahedra, edges with three equivalent LiSb4 tetrahedra, and faces with three equivalent LiSb6 octahedra. The corner-sharing octahedra tilt angles range from 19–55°. There are three shorter (2.75 Å) and one longer (2.88 Å) Li–Sb bond lengths. In the second Li1+ site, Li1+ is bonded to six equivalent Sb3- atoms to form LiSb6 octahedra that share corners with twelve equivalent SmSb6 octahedra, corners with six equivalent LiSb4 tetrahedra, edges with six equivalent LiSb6 octahedra, faces with two equivalent SmSb6 octahedra, and faces with six equivalent LiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. All Li–Sb bond lengths are 3.21 Å. Sm3+ is bonded to six equivalent Sb3- atoms to form SmSb6 octahedra that share corners with twelve equivalent LiSb6 octahedra, corners with twelve equivalent LiSb4 tetrahedra, edges with six equivalent SmSb6 octahedra, edges with six equivalent LiSb4 tetrahedra, and faces with two equivalent LiSb6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Sm–Sb bond lengths are 3.22 Å. Sb3- is bonded in a 10-coordinate geometry to seven Li1+ and three equivalent Sm3+ atoms.
DOI: 10.17188/1350372
title: Materials Data on DySe2 by Materials Project

description: DySe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Dy3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Dy–Se bond distances ranging from 2.97–3.06 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent Dy3+ and four equivalent Se+1.50- atoms. All Se–Se bond lengths are 2.88 Å. In the second Se+1.50- site, Se+1.50- is bonded to five equivalent Dy3+ atoms to form a mixture of distorted corner and edge-sharing SeDy5 trigonal bipyramids.
DOI: 10.17188/1350373
title: Materials Data on ReN2 by Materials Project

description: ReN2 is Corundum-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Re6+ is bonded to six N3- atoms to form ReN6 octahedra that share corners with three equivalent NRe3N tetrahedra and edges with six equivalent ReN6 octahedra. There are a spread of Re–N bond distances ranging from 2.07–2.14 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Re6+ and one N3- atom. The N–N bond length is 1.38 Å. In the second N3- site, N3- is bonded to three equivalent Re6+ and one N3- atom to form distorted NRe3N tetrahedra that share corners with three equivalent ReN6 octahedra, corners with two equivalent NRe3N tetrahedra, and edges with two equivalent NRe3N tetrahedra. The corner-sharing octahedra tilt angles range from 47–50°.
DOI: 10.17188/1350376
title: Materials Data on MoSeS by Materials Project

description: MoSSe is Molybdenite-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of one MoS2 sheet oriented in the (0, 0, 1) direction and one MoSe2 sheet oriented in the (0, 0, 1) direction. In the MoS2 sheet, Mo4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. All Mo–S bond lengths are 2.43 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms. In the MoSe2 sheet, Mo4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.53 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms.
DOI: 10.17188/1350377
title: Materials Data on HfCuSn by Materials Project

description: HfCuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to two equivalent Hf, six equivalent Cu, and six equivalent Sn atoms. Both Hf–Hf bond lengths are 3.20 Å. There are three shorter (2.89 Å) and three longer (3.24 Å) Hf–Cu bond lengths. There are three shorter (3.03 Å) and three longer (3.07 Å) Hf–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Hf and four equivalent Sn atoms. There are three shorter (2.62 Å) and one longer (2.82 Å) Cu–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Hf and four equivalent Cu atoms.
DOI: 10.17188/1350378
title: Materials Data on LiY(CuP)2 by Materials Project

description: LiY(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 YP6 octahedra, faces with six equivalent LiCu6P6 cuboctahedra, and faces with two equivalent YP6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li–Cu bond lengths are 2.55 Å. All Li–P bond lengths are 2.78 Å. Y3+ is bonded to six equivalent P3- atoms to form YP6 octahedra that share corners with twelve equivalent LiCu6P6 cuboctahedra, edges with six equivalent YP6 octahedra, and faces with two equivalent LiCu6P6 cuboctahedra. All Y–P bond lengths are 2.87 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 (2.67 Å) Cu–P bond lengths. P3- is bonded in a 10-coordinate geometry to three equivalent Li1+, three equivalent Y3+, and four equivalent Cu1+ atoms.
DOI: 10.17188/1350379
title: Materials Data on LaPbAu by Materials Project

description: LaAuPb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to six equivalent Au and six equivalent Pb atoms to form a mixture of edge and face-sharing LaPb6Au6 cuboctahedra. All La–Au bond lengths are 3.48 Å. All La–Pb bond lengths are 3.48 Å. Au is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Pb atoms. All Au–Pb bond lengths are 2.83 Å. Pb is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Au atoms.
DOI: 10.17188/1350380
title: Materials Data on ScPt3C by Materials Project

description: ScPt3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc2+ is bonded to twelve equivalent Pt2- atoms to form ScPt12 cuboctahedra that share corners with twelve equivalent ScPt12 cuboctahedra, faces with six equivalent ScPt12 cuboctahedra, and faces with eight equivalent CPt6 octahedra. All Sc–Pt bond lengths are 3.00 Å. Pt2- is bonded to four equivalent Sc2+ and two equivalent C4+ atoms to form a mixture of distorted edge, corner, and face-sharing PtSc4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pt–C bond lengths are 2.12 Å. C4+ is bonded to six equivalent Pt2- atoms to form CPt6 octahedra that share corners with six equivalent CPt6 octahedra and faces with eight equivalent ScPt12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1350381
title: Materials Data on Lu(CuS)2 by Materials Project

description: Lu(CuS)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Lu is bonded to six equivalent S atoms to form distorted LuS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with six equivalent LuS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Lu–S bond lengths are 2.77 Å. Cu is bonded to four equivalent S atoms to form distorted CuS4 tetrahedra that share corners with six equivalent LuS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with three equivalent LuS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–55°. There are three shorter (2.34 Å) and one longer (2.44 Å) Cu–S bond lengths. S is bonded to three equivalent Lu and four equivalent Cu atoms to form a mixture of distorted edge and corner-sharing SLu3Cu4 pentagonal bipyramids.
DOI: 10.17188/1350382
title: Materials Data on Eu2H3Cl by Materials Project

description: Eu2H3Cl crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu2+ is bonded in a 4-coordinate geometry to seven H1- and three equivalent Cl1- atoms. There are a spread of Eu–H bond distances ranging from 2.35–2.70 Å. All Eu–Cl bond lengths are 3.10 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Eu2+ atoms to form HEu4 trigonal pyramids that share corners with three equivalent HEu6 octahedra, corners with six equivalent ClEu6 octahedra, corners with six equivalent HEu4 trigonal pyramids, edges with three equivalent ClEu6 octahedra, edges with three equivalent HEu4 trigonal pyramids, and faces with three equivalent HEu6 octahedra. The corner-sharing octahedra tilt angles range from 33–48°. In the second H1- site, H1- is bonded to six equivalent Eu2+ atoms to form HEu6 octahedra that share corners with twelve equivalent ClEu6 octahedra, corners with six equivalent HEu4 trigonal pyramids, edges with six equivalent HEu6 octahedra, faces with two equivalent ClEu6 octahedra, and faces with six equivalent HEu4 trigonal pyramids. The corner-sharing octahedral tilt angles are 49°. Cl1- is bonded to six equivalent Eu2+ atoms to form ClEu6 octahedra that share corners with twelve equivalent HEu6 octahedra, corners with twelve equivalent HEu4 trigonal pyramids, edges with six equivalent ClEu6 octahedra, edges with six equivalent HEu4 trigonal pyramids, and faces with two equivalent HEu6 octahedra. The corner-sharing octahedral tilt angles are 49°.
DOI: 10.17188/1350383
title: Materials Data on HoSI by Materials Project

description: HoSI crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one HoSI sheet oriented in the (0, 0, 1) direction. Ho3+ is bonded to four equivalent S2- and two equivalent I1- atoms to form a mixture of edge and corner-sharing HoS4I2 octahedra. The corner-sharing octahedral tilt angles are 20°. There are two shorter (2.72 Å) and two longer (2.73 Å) Ho–S bond lengths. Both Ho–I bond lengths are 3.04 Å. S2- is bonded to four equivalent Ho3+ atoms to form a mixture of distorted edge and corner-sharing SHo4 trigonal pyramids. I1- is bonded in an L-shaped geometry to two equivalent Ho3+ atoms.
DOI: 10.17188/1350384
title: Materials Data on NdZnIn by Materials Project

description: NdZnIn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to six equivalent Zn and six equivalent In atoms to form a mixture of edge and face-sharing NdZn6In6 cuboctahedra. All Nd–Zn bond lengths are 3.34 Å. All Nd–In bond lengths are 3.34 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent In atoms. All Zn–In bond lengths are 2.75 Å. In is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Zn atoms.
DOI: 10.17188/1350385
title: Materials Data on SmGeAu by Materials Project

description: SmAuGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ge atoms. There are three shorter (3.12 Å) and three longer (3.34 Å) Sm–Au bond lengths. There are three shorter (3.06 Å) and three longer (3.40 Å) Sm–Ge bond lengths. Au is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Ge atoms. All Au–Ge bond lengths are 2.64 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Sm and three equivalent Au atoms.
DOI: 10.17188/1350386
title: Materials Data on PuTe2 by Materials Project

description: PuTe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pu4+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of Pu–Te bond distances ranging from 3.17–3.25 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to five equivalent Pu4+ atoms to form a mixture of distorted edge and corner-sharing TePu5 trigonal bipyramids. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent Pu4+ and four equivalent Te2- atoms. All Te–Te bond lengths are 3.12 Å.
DOI: 10.17188/1350387
title: Materials Data on EuHgPb by Materials Project

description: EuHgPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to six equivalent Hg and six equivalent Pb atoms. There are three shorter (3.33 Å) and three longer (3.85 Å) Eu–Hg bond lengths. There are three shorter (3.41 Å) and three longer (3.74 Å) Eu–Pb bond lengths. Hg is bonded in a 10-coordinate geometry to six equivalent Eu and four equivalent Pb atoms. There are three shorter (3.04 Å) and one longer (3.28 Å) Hg–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent Eu and four equivalent Hg atoms.
DOI: 10.17188/1350388
title: Materials Data on NdSbTe by Materials Project

description: NdSbTe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to four equivalent Sb1- and five equivalent Te2- atoms. All Nd–Sb bond lengths are 3.42 Å. There are four shorter (3.23 Å) and one longer (3.32 Å) Nd–Te bond lengths. Sb1- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Sb1- atoms. All Sb–Sb bond lengths are 3.08 Å. Te2- is bonded in a 5-coordinate geometry to five equivalent Nd3+ atoms.
DOI: 10.17188/1350389
title: Materials Data on CN2 by Materials Project

description: CN2 crystallizes in the tetragonal P-42_1m space group. The structure is two-dimensional and consists of one CN2 sheet oriented in the (0, 0, 1) direction. C4+ is bonded to four equivalent N2- atoms to form corner-sharing CN4 tetrahedra. All C–N bond lengths are 1.47 Å. N2- is bonded in a distorted water-like geometry to two equivalent C4+ atoms.
DOI: 10.17188/1350390
title: Materials Data on SmCoP by Materials Project

description: SmCoP is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one SmCoP sheet oriented in the (0, 0, 1) direction. Sm2+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. All Sm–P bond lengths are 2.93 Å. Co1+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. All Co–P bond lengths are 2.30 Å. P3- is bonded in a 8-coordinate geometry to four equivalent Sm2+ and four equivalent Co1+ atoms.
DOI: 10.17188/1350391
title: Materials Data on PrCoP by Materials Project

description: PrCoP is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one PrCoP sheet oriented in the (0, 0, 1) direction. Pr is bonded in a 8-coordinate geometry to four equivalent Co and four equivalent P atoms. All Pr–Co bond lengths are 3.03 Å. All Pr–P bond lengths are 2.97 Å. Co is bonded to four equivalent Pr and four equivalent P atoms to form a mixture of distorted edge and face-sharing CoPr4P4 tetrahedra. All Co–P bond lengths are 2.29 Å. P is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Co atoms.
DOI: 10.17188/1350392
title: Materials Data on CsHSO3 by Materials Project

description: CsHSO3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are three shorter (3.28 Å) and six longer (3.33 Å) Cs–O bond lengths. H1+ is bonded in a single-bond geometry to one S4+ atom. The H–S bond length is 1.36 Å. S4+ is bonded in a tetrahedral geometry to one H1+ and three equivalent O2- atoms. All S–O bond lengths are 1.47 Å. O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one S4+ atom.
DOI: 10.17188/1350393
title: Materials Data on CoPPd by Materials Project

description: CoPdP is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Co1+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing CoP4 tetrahedra. All Co–P bond lengths are 2.22 Å. Pd2+ is bonded in a 1-coordinate geometry to five equivalent P3- atoms. There are one shorter (2.35 Å) and four longer (2.72 Å) Pd–P bond lengths. P3- is bonded in a 9-coordinate geometry to four equivalent Co1+ and five equivalent Pd2+ atoms.
DOI: 10.17188/1350394
title: Materials Data on ErZnGa by Materials Project

description: ErZnGa is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded to six equivalent Zn and six equivalent Ga atoms to form a mixture of edge and face-sharing ErZn6Ga6 cuboctahedra. All Er–Zn bond lengths are 3.10 Å. All Er–Ga bond lengths are 3.10 Å. Zn is bonded in a 3-coordinate geometry to six equivalent Er and three equivalent Ga atoms. All Zn–Ga bond lengths are 2.54 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Zn atoms.
DOI: 10.17188/1350395
title: Materials Data on LaGe2Ir3 by Materials Project

description: LaIr3Ge2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to twelve equivalent Ir and six equivalent Ge atoms. All La–Ir bond lengths are 3.44 Å. All La–Ge bond lengths are 3.29 Å. Ir is bonded in a 12-coordinate geometry to four equivalent La and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.53 Å. Ge is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Ir atoms.
DOI: 10.17188/1350396
title: Materials Data on NdGeAu by Materials Project

description: NdAuGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Nd is bonded to six equivalent Au and six equivalent Ge atoms to form a mixture of distorted face and edge-sharing NdGe6Au6 cuboctahedra. There are three shorter (3.18 Å) and three longer (3.35 Å) Nd–Au bond lengths. There are three shorter (3.12 Å) and three longer (3.42 Å) Nd–Ge bond lengths. Au is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Ge atoms. All Au–Ge bond lengths are 2.63 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Nd and three equivalent Au atoms.
DOI: 10.17188/1350397
title: Materials Data on HoFeSi by Materials Project

description: HoFeSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ho is bonded in a 9-coordinate geometry to four equivalent Fe and five equivalent Si atoms. All Ho–Fe bond lengths are 2.86 Å. There are four shorter (2.97 Å) and one longer (3.22 Å) Ho–Si bond lengths. Fe is bonded in a 8-coordinate geometry to four equivalent Ho and four equivalent Si atoms. All Fe–Si bond lengths are 2.33 Å. Si is bonded in a 9-coordinate geometry to five equivalent Ho and four equivalent Fe atoms.
DOI: 10.17188/1350398
title: Materials Data on PrSbPd by Materials Project

description: PrPdSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to six equivalent Pd and six equivalent Sb atoms to form a mixture of edge and face-sharing PrSb6Pd6 cuboctahedra. All Pr–Pd bond lengths are 3.36 Å. All Pr–Sb bond lengths are 3.36 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Sb atoms. All Pd–Sb bond lengths are 2.67 Å. Sb is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Pd atoms.
DOI: 10.17188/1350399
title: Materials Data on ReC2 by Materials Project

description: ReC2 is Corundum-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re6+ is bonded to six equivalent C3- atoms to form distorted edge-sharing ReC6 pentagonal pyramids. All Re–C bond lengths are 2.14 Å. C3- is bonded in a rectangular see-saw-like geometry to three equivalent Re6+ and one C3- atom. The C–C bond length is 1.38 Å.