cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1201496
title: Materials Data on Ca11Bi10 by Materials Project

description: Ca11Bi10 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Ca sites. In the first Ca site, Ca is bonded to seven Bi atoms to form a mixture of distorted corner, edge, and face-sharing CaBi7 pentagonal bipyramids. There are a spread of Ca–Bi bond distances ranging from 3.26–3.71 Å. In the second Ca site, Ca is bonded in a 2-coordinate geometry to seven Bi atoms. There are a spread of Ca–Bi bond distances ranging from 3.05–3.89 Å. In the third Ca site, Ca is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of Ca–Bi bond distances ranging from 3.58–3.73 Å. In the fourth Ca site, Ca is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Ca–Bi bond distances ranging from 3.27–3.58 Å. There are five inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight Ca atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Ca atoms. In the third Bi site, Bi is bonded in a 11-coordinate geometry to seven Ca and four Bi atoms. There are two shorter (3.24 Å) and two longer (3.34 Å) Bi–Bi bond lengths. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to eight Ca atoms. In the fifth Bi site, Bi is bonded in a 10-coordinate geometry to eight Ca and two Bi atoms. The Bi–Bi bond length is 3.20 Å.
DOI: 10.17188/1201497
title: Materials Data on HgTe by Materials Project

description: HgTe is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Te2- atoms to form corner-sharing HgTe4 tetrahedra. All Hg–Te bond lengths are 2.88 Å. Te2- is bonded to four equivalent Hg2+ atoms to form corner-sharing TeHg4 tetrahedra.
DOI: 10.17188/1201498
title: Materials Data on RbAuBr3 by Materials Project

description: RbAuBr3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.52–3.89 Å. There are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Au–Br bond lengths are 2.51 Å. In the second Au2+ site, Au2+ is bonded in a distorted octahedral geometry to six Br1- atoms. There are two shorter (2.45 Å) and four longer (3.23 Å) Au–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to three equivalent Rb1+ and two Au2+ atoms to form a mixture of distorted corner, edge, and face-sharing BrRb3Au2 square pyramids. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and one Au2+ atom.
DOI: 10.17188/1201512
title: Materials Data on Rb3Au3Cl8 by Materials Project

description: Rb3Au3Cl8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.31–4.02 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.36–3.72 Å. There are two inequivalent Au+1.67+ sites. In the first Au+1.67+ site, Au+1.67+ is bonded in a distorted octahedral geometry to six Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.35–3.30 Å. In the second Au+1.67+ site, Au+1.67+ is bonded in a distorted linear geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.31–3.27 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Rb1+ and two Au+1.67+ atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and two Au+1.67+ atoms. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Rb1+ and one Au+1.67+ atom. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two Rb1+ and two Au+1.67+ atoms.
DOI: 10.17188/1201513
title: Materials Data on TmCl2 by Materials Project

description: TmCl2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Tm is bonded to seven Cl atoms to form a mixture of distorted edge and corner-sharing TmCl7 pentagonal bipyramids. There are a spread of Tm–Cl bond distances ranging from 2.72–2.86 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded to four equivalent Tm atoms to form a mixture of distorted edge and corner-sharing ClTm4 tetrahedra. In the second Cl site, Cl is bonded in a trigonal planar geometry to three equivalent Tm atoms.
DOI: 10.17188/1201514
title: Materials Data on NaAg3O2 by Materials Project

description: NaAg3O2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Na1+ is bonded to four equivalent O2- atoms to form distorted edge-sharing NaO4 tetrahedra. All Na–O bond lengths are 2.33 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.13 Å. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.15 Å. O2- is bonded to two equivalent Na1+ and three Ag1+ atoms to form a mixture of distorted edge and corner-sharing ONa2Ag3 trigonal bipyramids.
DOI: 10.17188/1201515
title: Materials Data on K2MnCl6 by Materials Project

description: K2MnCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, and faces with four equivalent MnCl6 octahedra. All K–Cl bond lengths are 3.51 Å. Mn4+ is bonded to six equivalent Cl1- atoms to form MnCl6 octahedra that share faces with eight equivalent KCl12 cuboctahedra. All Mn–Cl bond lengths are 2.29 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Mn4+ atom.
DOI: 10.17188/1201516
title: Materials Data on Na2ZrF6 by Materials Project

description: Na2ZrF6 is Baddeleyite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.26–2.64 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.29–2.70 Å. Zr4+ is bonded to seven F1- atoms to form distorted edge-sharing ZrF7 pentagonal bipyramids. There are a spread of Zr–F bond distances ranging from 2.04–2.23 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Zr4+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent Zr4+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to three Na1+ and one Zr4+ atom. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to two Na1+ and one Zr4+ atom. In the fifth F1- site, F1- is bonded to three Na1+ and one Zr4+ atom to form corner-sharing FNa3Zr tetrahedra. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to three Na1+ and one Zr4+ atom.
DOI: 10.17188/1201517
title: Materials Data on SbBrF8 by Materials Project

description: SbBrF8 crystallizes in the orthorhombic Pcca space group. The structure is one-dimensional and consists of two SbBrF8 ribbons oriented in the (0, 1, 0) direction. Sb3+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.90 Å) and two longer (1.99 Å) Sb–F bond length. Br5+ is bonded in a square co-planar geometry to four F1- atoms. There are two shorter (1.77 Å) and two longer (2.25 Å) Br–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sb3+ and one Br5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom.
DOI: 10.17188/1201518
title: Materials Data on TiGa3 by Materials Project

description: Ga3Ti is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ti is bonded to twelve Ga atoms to form TiGa12 cuboctahedra that share corners with four equivalent TiGa12 cuboctahedra, edges with eight equivalent TiGa12 cuboctahedra, edges with sixteen equivalent GaTi4Ga8 cuboctahedra, faces with four equivalent TiGa12 cuboctahedra, and faces with eight equivalent GaTi4Ga8 cuboctahedra. There are four shorter (2.69 Å) and eight longer (2.91 Å) Ti–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Ti and eight Ga atoms to form GaTi4Ga8 cuboctahedra that share corners with twelve equivalent GaTi4Ga8 cuboctahedra, edges with eight equivalent TiGa12 cuboctahedra, edges with eight equivalent GaTi4Ga8 cuboctahedra, faces with four equivalent TiGa12 cuboctahedra, and faces with ten equivalent GaTi4Ga8 cuboctahedra. There are four shorter (2.69 Å) and four longer (2.91 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Ti and eight equivalent Ga atoms.
DOI: 10.17188/1201519
title: Materials Data on Na4Sn3F10 by Materials Project

description: Na4Sn3F10 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six F1- atoms to form a mixture of distorted edge and corner-sharing NaF6 octahedra. The corner-sharing octahedral tilt angles are 64°. There are a spread of Na–F bond distances ranging from 2.32–2.45 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Na–F bond distances ranging from 2.27–2.52 Å. In the third Na1+ site, Na1+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing NaF6 octahedra. The corner-sharing octahedral tilt angles are 64°. There are a spread of Na–F bond distances ranging from 2.33–2.37 Å. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.07–2.41 Å. In the second Sn2+ site, Sn2+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are two shorter (2.07 Å) and two longer (2.33 Å) Sn–F bond lengths. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Sn2+ atom. In the second F1- site, F1- is bonded to three Na1+ and one Sn2+ atom to form a mixture of distorted edge and corner-sharing FNa3Sn trigonal pyramids. In the third F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+ and two Sn2+ atoms. In the fourth F1- site, F1- is bonded to three Na1+ and one Sn2+ atom to form a mixture of edge and corner-sharing FNa3Sn tetrahedra. In the fifth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two Na1+ and one Sn2+ atom.
DOI: 10.17188/1201520
title: Materials Data on LaCO by Materials Project

description: LaCO crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to three equivalent C and four equivalent O atoms. There are two shorter (2.83 Å) and one longer (2.87 Å) La–C bond lengths. There are two shorter (2.41 Å) and two longer (2.43 Å) La–O bond lengths. C is bonded in a distorted rectangular see-saw-like geometry to three equivalent La and one C atom. The C–C bond length is 1.26 Å. O is bonded to four equivalent La atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.
DOI: 10.17188/1201521
title: Materials Data on Nb2SeF14 by Materials Project

description: Nb2SeF14 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Nb2SeF14 sheet oriented in the (1, 0, 0) direction. there are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six F1- atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of Nb–F bond distances ranging from 1.87–2.14 Å. In the second Nb5+ site, Nb5+ is bonded to six F1- atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of Nb–F bond distances ranging from 1.87–2.07 Å. Se4+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Se–F bond distances ranging from 1.73–2.44 Å. There are fourteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Se4+ atom. In the sixth F1- site, F1- is bonded in a linear geometry to two Nb5+ atoms. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Nb5+ and one Se4+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Se4+ atom. In the ninth F1- site, F1- is bonded in a distorted linear geometry to one Nb5+ and one Se4+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Se4+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the twelfth F1- site, F1- is bonded in a 1-coordinate geometry to one Nb5+ and one Se4+ atom. In the thirteenth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the fourteenth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom.
DOI: 10.17188/1201522
title: Materials Data on NbSeF9 by Materials Project

description: NbSeF9 is alpha Po structured and crystallizes in the trigonal R3 space group. The structure is zero-dimensional and consists of three NbSeF9 clusters. there are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six F1- atoms to form NbF6 octahedra that share corners with three SeF6 octahedra. The corner-sharing octahedra tilt angles range from 2–3°. There is three shorter (1.89 Å) and three longer (2.00 Å) Nb–F bond length. In the second Nb5+ site, Nb5+ is bonded to six F1- atoms to form NbF6 octahedra that share corners with three equivalent SeF6 octahedra. The corner-sharing octahedral tilt angles are 1°. There is three shorter (1.89 Å) and three longer (2.00 Å) Nb–F bond length. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded to six F1- atoms to form distorted SeF6 octahedra that share corners with three NbF6 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. There are a spread of Se–F bond distances ranging from 1.73–2.37 Å. In the second Se4+ site, Se4+ is bonded to six F1- atoms to form distorted SeF6 octahedra that share corners with three equivalent NbF6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three shorter (1.74 Å) and three longer (2.36 Å) Se–F bond lengths. There are twelve inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to one Nb5+ and one Se4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Se4+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Se4+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the eighth F1- site, F1- is bonded in a distorted linear geometry to one Nb5+ and one Se4+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Se4+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Se4+ atom. In the eleventh F1- site, F1- is bonded in a distorted linear geometry to one Nb5+ and one Se4+ atom. In the twelfth F1- site, F1- is bonded in a distorted linear geometry to one Nb5+ and one Se4+ atom.
DOI: 10.17188/1201523
title: Materials Data on SbClF8 by Materials Project

description: SbClF8 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one SbClF8 ribbon oriented in the (0, 0, 1) direction. there are two inequivalent Sb sites. In the first Sb site, Sb is bonded in an octahedral geometry to six F atoms. There is four shorter (1.90 Å) and two longer (1.98 Å) Sb–F bond length. In the second Sb site, Sb is bonded in an octahedral geometry to six F atoms. There is four shorter (1.90 Å) and two longer (1.97 Å) Sb–F bond length. Cl is bonded in a distorted rectangular see-saw-like geometry to four F atoms. There are a spread of Cl–F bond distances ranging from 1.61–2.23 Å. There are eight inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Cl atom. In the fourth F site, F is bonded in a single-bond geometry to one Cl atom. In the fifth F site, F is bonded in a distorted single-bond geometry to one Sb and one Cl atom. In the sixth F site, F is bonded in a distorted bent 150 degrees geometry to one Sb and one Cl atom. In the seventh F site, F is bonded in a single-bond geometry to one Sb atom. In the eighth F site, F is bonded in a single-bond geometry to one Sb atom.
DOI: 10.17188/1201524
title: Materials Data on CaTiF6 by Materials Project

description: CaTiF6 is High-temperature superconductor-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent F1- atoms to form CaF6 octahedra that share corners with six equivalent TiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–F bond lengths are 2.28 Å. Ti4+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–F bond lengths are 1.89 Å. F1- is bonded in a linear geometry to one Ca2+ and one Ti4+ atom.
DOI: 10.17188/1201527
title: Materials Data on SbAsF8 by Materials Project

description: SbAsF8 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two SbAsF8 ribbons oriented in the (0, 0, 1) direction. Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.89–2.02 Å. As5+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of As–F bond distances ranging from 1.75–2.26 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Sb3+ and one As5+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sb3+ and one As5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.
DOI: 10.17188/1201528
title: Materials Data on Sb3(BrF8)2 by Materials Project

description: Sb3F16(Br)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight hydrobromic acid molecules and four Sb3F16 clusters. In each Sb3F16 cluster, there are two inequivalent Sb2+ sites. In the first Sb2+ site, Sb2+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Sb–F bond distances ranging from 1.89–2.14 Å. In the second Sb2+ site, Sb2+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There is four shorter (1.89 Å) and two longer (2.02 Å) Sb–F bond length. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb2+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb2+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb2+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb2+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb2+ atom. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb2+ atoms.
DOI: 10.17188/1201529
title: Materials Data on Sc2Co3Si by Materials Project

description: Sc2Co3Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Sc, nine equivalent Co, and three equivalent Si atoms. There are one shorter (2.82 Å) and three longer (3.04 Å) Sc–Sc bond lengths. There are three shorter (2.72 Å) and six longer (2.88 Å) Sc–Co bond lengths. All Sc–Si bond lengths are 2.94 Å. Co is bonded to six equivalent Sc, four equivalent Co, and two equivalent Si atoms to form CoSc6Co4Si2 cuboctahedra that share corners with four equivalent SiSc6Co6 cuboctahedra, corners with fourteen equivalent CoSc6Co4Si2 cuboctahedra, edges with six equivalent CoSc6Co4Si2 cuboctahedra, faces with six equivalent SiSc6Co6 cuboctahedra, and faces with twelve equivalent CoSc6Co4Si2 cuboctahedra. There are two shorter (2.45 Å) and two longer (2.58 Å) Co–Co bond lengths. Both Co–Si bond lengths are 2.39 Å. Si is bonded to six equivalent Sc and six equivalent Co atoms to form SiSc6Co6 cuboctahedra that share corners with twelve equivalent CoSc6Co4Si2 cuboctahedra, edges with six equivalent SiSc6Co6 cuboctahedra, faces with two equivalent SiSc6Co6 cuboctahedra, and faces with eighteen equivalent CoSc6Co4Si2 cuboctahedra.
DOI: 10.17188/1201530
title: Materials Data on PRh2 by Materials Project

description: Rh2P is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rh is bonded to four equivalent P atoms to form a mixture of distorted edge and corner-sharing RhP4 tetrahedra. All Rh–P bond lengths are 2.41 Å. P is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.