cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1195778
title: Materials Data on Nd2ScSi2 by Materials Project

description: Nd2ScSi2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nd3+ is bonded in a distorted hexagonal planar geometry to six equivalent Si4- atoms. There are two shorter (3.07 Å) and four longer (3.14 Å) Nd–Si bond lengths. Sc2+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All Sc–Si bond lengths are 2.95 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Nd3+, two equivalent Sc2+, and one Si4- atom. The Si–Si bond length is 2.47 Å.
DOI: 10.17188/1195779
title: Materials Data on V2C by Materials Project

description: V2C is beta Vanadium nitride-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. V2+ is bonded in a distorted trigonal planar geometry to three equivalent C4- atoms. There are a spread of V–C bond distances ranging from 2.01–2.04 Å. C4- is bonded to six equivalent V2+ atoms to form a mixture of corner and edge-sharing CV6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°.
DOI: 10.17188/1195780
title: Materials Data on Y(MnGe)2 by Materials Project

description: YMn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Y–Ge bond lengths are 3.08 Å. Mn is bonded to four equivalent Ge atoms to form a mixture of corner and edge-sharing MnGe4 tetrahedra. All Mn–Ge bond lengths are 2.44 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.61 Å.
DOI: 10.17188/1195781
title: Materials Data on MnS by Materials Project

description: MnS is Halite, Rock Salt structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent S2- atoms to form a mixture of corner and edge-sharing MnS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–S bond lengths are 2.56 Å. S2- is bonded to six equivalent Mn2+ atoms to form a mixture of corner and edge-sharing SMn6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195782
title: Materials Data on CeCrGe3 by Materials Project

description: CeCrGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Ge atoms to form distorted CeGe12 cuboctahedra that share corners with six equivalent CeGe12 cuboctahedra, corners with six equivalent CrGe6 octahedra, faces with eight equivalent CeGe12 cuboctahedra, and faces with six equivalent CrGe6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are six shorter (3.07 Å) and six longer (3.21 Å) Ce–Ge bond lengths. Cr is bonded to six equivalent Ge atoms to form CrGe6 octahedra that share corners with six equivalent CeGe12 cuboctahedra, faces with six equivalent CeGe12 cuboctahedra, and faces with two equivalent CrGe6 octahedra. All Cr–Ge bond lengths are 2.48 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Ce, two equivalent Cr, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.60 Å.
DOI: 10.17188/1195783
title: Materials Data on PbF3 by Materials Project

description: PbF3 crystallizes in the tetragonal P4_2/mcm space group. The structure is three-dimensional. there are two inequivalent Pb sites. In the first Pb site, Pb is bonded to four equivalent F atoms to form distorted corner-sharing PbF4 trigonal pyramids. The corner-sharing octahedral tilt angles are 21°. All Pb–F bond lengths are 2.41 Å. In the second Pb site, Pb is bonded to six F atoms to form corner-sharing PbF6 octahedra. There are four shorter (2.11 Å) and two longer (2.13 Å) Pb–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Pb atom. In the second F site, F is bonded in a bent 150 degrees geometry to two Pb atoms.
DOI: 10.17188/1195784
title: Materials Data on Gd2InPd2 by Materials Project

description: Gd2Pd2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Gd is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.89 Å) and four longer (3.04 Å) Gd–Pd bond lengths. All Gd–In bond lengths are 3.44 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Gd, one Pd, and two equivalent In atoms. The Pd–Pd bond length is 2.82 Å. Both Pd–In bond lengths are 3.06 Å. In is bonded to eight equivalent Gd and four equivalent Pd atoms to form a mixture of face and corner-sharing InGd8Pd4 cuboctahedra.
DOI: 10.17188/1195785
title: Materials Data on SmGeRu by Materials Project

description: SmRuGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 9-coordinate geometry to four equivalent Ru and six equivalent Ge atoms. There are two shorter (3.00 Å) and two longer (3.02 Å) Sm–Ru bond lengths. There are a spread of Sm–Ge bond distances ranging from 3.10–3.27 Å. Ru is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.53–2.61 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Ru atoms.
DOI: 10.17188/1195786
title: Materials Data on DyMn12 by Materials Project

description: DyMn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to twenty Mn atoms. There are twelve shorter (3.02 Å) and eight longer (3.15 Å) Dy–Mn bond lengths. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Dy and ten Mn atoms to form a mixture of distorted edge, face, and corner-sharing MnDy2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.38–2.69 Å. In the second Mn site, Mn is bonded to two equivalent Dy and ten Mn atoms to form a mixture of edge, face, and corner-sharing MnDy2Mn10 cuboctahedra. There are two shorter (2.35 Å) and four longer (2.56 Å) Mn–Mn bond lengths. In the third Mn site, Mn is bonded in a 1-coordinate geometry to one Dy and thirteen Mn atoms. There are one shorter (2.23 Å) and four longer (2.83 Å) Mn–Mn bond lengths.
DOI: 10.17188/1195787
title: Materials Data on Li2BPd3 by Materials Project

description: Li2Pd3B crystallizes in the cubic P4_332 space group. The structure is three-dimensional. Li is bonded to three equivalent Li and nine equivalent Pd atoms to form distorted LiLi3Pd9 cuboctahedra that share corners with fifteen equivalent LiLi3Pd9 cuboctahedra, edges with three equivalent BPd6 octahedra, faces with ten equivalent LiLi3Pd9 cuboctahedra, and faces with four equivalent BPd6 octahedra. All Li–Li bond lengths are 2.60 Å. There are a spread of Li–Pd bond distances ranging from 2.76–2.88 Å. Pd is bonded in a 8-coordinate geometry to six equivalent Li and two equivalent B atoms. Both Pd–B bond lengths are 2.16 Å. B is bonded to six equivalent Pd atoms to form distorted BPd6 octahedra that share corners with six equivalent BPd6 octahedra, edges with six equivalent LiLi3Pd9 cuboctahedra, and faces with eight equivalent LiLi3Pd9 cuboctahedra. The corner-sharing octahedral tilt angles are 28°.
DOI: 10.17188/1195788
title: Materials Data on EuCu5 by Materials Project

description: EuCu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Eu is bonded in a 6-coordinate geometry to eighteen Cu atoms. There are six shorter (2.98 Å) and twelve longer (3.28 Å) Eu–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Eu and eight Cu atoms to form a mixture of face, edge, and corner-sharing CuEu4Cu8 cuboctahedra. There are four shorter (2.51 Å) and four longer (2.58 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Eu and six equivalent Cu atoms.
DOI: 10.17188/1195789
title: Materials Data on NpAl2 by Materials Project

description: NpAl2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Np is bonded in a 12-coordinate geometry to four equivalent Np and twelve equivalent Al atoms. All Np–Np bond lengths are 3.36 Å. All Np–Al bond lengths are 3.21 Å. Al is bonded to six equivalent Np and six equivalent Al atoms to form a mixture of corner, edge, and face-sharing AlNp6Al6 cuboctahedra. All Al–Al bond lengths are 2.74 Å.
DOI: 10.17188/1195790
title: Materials Data on Ti2PbC by Materials Project

description: Ti2PbC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 3-coordinate geometry to three equivalent Pb and three equivalent C atoms. All Ti–Pb bond lengths are 3.07 Å. All Ti–C bond lengths are 2.15 Å. Pb is bonded in a 12-coordinate geometry to six equivalent Ti atoms. C is bonded to six equivalent Ti atoms to form edge-sharing CTi6 octahedra.
DOI: 10.17188/1195791
title: Materials Data on Sn4Pt by Materials Project

description: PtSn4 crystallizes in the orthorhombic Ccce space group. The structure is two-dimensional and consists of two PtSn4 sheets oriented in the (0, 1, 0) direction. Pt is bonded in a 8-coordinate geometry to eight equivalent Sn atoms. There are four shorter (2.83 Å) and four longer (2.84 Å) Pt–Sn bond lengths. Sn is bonded in a 2-coordinate geometry to two equivalent Pt atoms.
DOI: 10.17188/1195792
title: Materials Data on TmCuPb by Materials Project

description: TmCuPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Pb atoms. There are three shorter (2.95 Å) and three longer (3.57 Å) Tm–Cu bond lengths. There are three shorter (3.14 Å) and three longer (3.32 Å) Tm–Pb bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Pb atoms. There are three shorter (2.75 Å) and one longer (2.95 Å) Cu–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Cu atoms.
DOI: 10.17188/1195793
title: Materials Data on Mn2Sb by Materials Project

description: Mn2Sb crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four equivalent Sb atoms to form distorted MnMn8Sb4 cuboctahedra that share corners with four equivalent MnMn8Sb4 cuboctahedra, corners with four equivalent MnMn4Sb5 square pyramids, edges with eight equivalent MnMn4Sb5 square pyramids, faces with eight equivalent MnMn8Sb4 cuboctahedra, and faces with four equivalent MnMn4Sb5 square pyramids. There are four shorter (2.71 Å) and four longer (2.78 Å) Mn–Mn bond lengths. All Mn–Sb bond lengths are 2.68 Å. In the second Mn site, Mn is bonded to four equivalent Mn and five equivalent Sb atoms to form distorted MnMn4Sb5 square pyramids that share corners with four equivalent MnMn8Sb4 cuboctahedra, corners with four equivalent MnMn4Sb5 square pyramids, edges with eight equivalent MnMn8Sb4 cuboctahedra, edges with eight equivalent MnMn4Sb5 square pyramids, faces with four equivalent MnMn8Sb4 cuboctahedra, and faces with four equivalent MnMn4Sb5 square pyramids. There are one shorter (2.73 Å) and four longer (2.78 Å) Mn–Sb bond lengths. Sb is bonded in a distorted q6 geometry to nine Mn atoms.
DOI: 10.17188/1195794
title: Materials Data on CeInCu by Materials Project

description: CeCuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Cu and six equivalent In atoms. All Ce–Cu bond lengths are 3.08 Å. There are two shorter (3.27 Å) and four longer (3.44 Å) Ce–In bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent In atoms. All Cu–In bond lengths are 2.83 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent In atoms. All Cu–In bond lengths are 2.82 Å. In is bonded in a 12-coordinate geometry to six equivalent Ce, four Cu, and two equivalent In atoms. Both In–In bond lengths are 3.15 Å.
DOI: 10.17188/1195826
title: Materials Data on SmIn2Rh by Materials Project

description: SmRhIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to three equivalent Rh and ten equivalent In atoms. There are one shorter (2.89 Å) and two longer (3.15 Å) Sm–Rh bond lengths. There are a spread of Sm–In bond distances ranging from 3.35–3.49 Å. Rh is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent In atoms. There are two shorter (2.80 Å) and four longer (2.83 Å) Rh–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Sm and three equivalent Rh atoms.
DOI: 10.17188/1195827
title: Materials Data on Dy(MnGe)6 by Materials Project

description: DyMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded to eight Ge atoms to form distorted edge-sharing DyGe8 hexagonal bipyramids. There are two shorter (2.80 Å) and six longer (2.99 Å) Dy–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.52–2.70 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Dy, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms.
DOI: 10.17188/1195828
title: Materials Data on Ca2In by Materials Project

description: Ca2In is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent In atoms. There are a spread of Ca–In bond distances ranging from 3.40–3.71 Å. In the second Ca site, Ca is bonded to four equivalent In atoms to form a mixture of distorted edge and corner-sharing CaIn4 tetrahedra. There are a spread of Ca–In bond distances ranging from 3.25–3.31 Å. In is bonded in a 9-coordinate geometry to nine Ca atoms.
DOI: 10.17188/1195829
title: Materials Data on ThGa2 by Materials Project

description: ThGa2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Th is bonded to twelve Ga atoms to form a mixture of face and edge-sharing ThGa12 cuboctahedra. All Th–Ga bond lengths are 3.26 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. There are one shorter (2.46 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. There are one shorter (2.46 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. There are one shorter (2.46 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. All Ga–Th bond lengths are 3.26 Å.
DOI: 10.17188/1195830
title: Materials Data on Yb(MnGe)2 by Materials Project

description: YbMn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Yb–Ge bond lengths are 3.11 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 2.43 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Yb, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.65 Å.
DOI: 10.17188/1195831
title: Materials Data on UCoGe by Materials Project

description: UCoGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U is bonded in a 1-coordinate geometry to six equivalent Co and six equivalent Ge atoms. There are a spread of U–Co bond distances ranging from 2.65–3.09 Å. There are a spread of U–Ge bond distances ranging from 2.94–3.03 Å. Co is bonded in a 10-coordinate geometry to six equivalent U and four equivalent Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.45–2.72 Å. Ge is bonded in a 10-coordinate geometry to six equivalent U and four equivalent Co atoms.
DOI: 10.17188/1195832
title: Materials Data on Hf3P2 by Materials Project

description: Hf3P2 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Hf sites. In the first Hf site, Hf is bonded in a 4-coordinate geometry to five P atoms. There are a spread of Hf–P bond distances ranging from 2.63–3.08 Å. In the second Hf site, Hf is bonded to five P atoms to form edge-sharing HfP5 square pyramids. There are a spread of Hf–P bond distances ranging from 2.61–2.66 Å. In the third Hf site, Hf is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Hf–P bond distances ranging from 2.63–2.74 Å. There are two inequivalent P sites. In the first P site, P is bonded to seven Hf atoms to form a mixture of distorted edge and corner-sharing PHf7 pentagonal bipyramids. In the second P site, P is bonded in a 8-coordinate geometry to eight Hf atoms.
DOI: 10.17188/1195833
title: Materials Data on Mg(FeGe)6 by Materials Project

description: MgFe6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Fe and eight Ge atoms to form distorted face-sharing MgFe12Ge8 hexagonal bipyramids. All Mg–Fe bond lengths are 3.21 Å. There are two shorter (2.72 Å) and six longer (2.91 Å) Mg–Ge bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Mg, four equivalent Fe, and six Ge atoms. All Fe–Fe bond lengths are 2.52 Å. There are four shorter (2.47 Å) and two longer (2.62 Å) Fe–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Mg and six equivalent Fe atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Mg, six equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.55 Å.
DOI: 10.17188/1195834
title: Materials Data on Ba2YCu3O7 by Materials Project

description: YBa2Cu3O7 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.76–3.06 Å. Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.40 Å) and four longer (2.43 Å) Y–O bond lengths. There are two inequivalent Cu+2.33+ sites. In the first Cu+2.33+ site, Cu+2.33+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.95–2.30 Å. In the second Cu+2.33+ site, Cu+2.33+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.88 Å) and two longer (1.96 Å) Cu–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ba2+ and two equivalent Cu+2.33+ atoms to form a mixture of distorted edge, corner, and face-sharing OBa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–67°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, two equivalent Y3+, and two equivalent Cu+2.33+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, two equivalent Y3+, and two equivalent Cu+2.33+ atoms. In the fourth O2- site, O2- is bonded to four equivalent Ba2+ and two Cu+2.33+ atoms to form a mixture of distorted edge, corner, and face-sharing OBa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–67°.
DOI: 10.17188/1195835
title: Materials Data on HoSiRh by Materials Project

description: HoRhSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 9-coordinate geometry to six equivalent Rh and five equivalent Si atoms. There are a spread of Ho–Rh bond distances ranging from 2.96–3.31 Å. There are a spread of Ho–Si bond distances ranging from 2.97–3.00 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Si atoms. There are a spread of Rh–Si bond distances ranging from 2.48–2.60 Å. Si is bonded in a 9-coordinate geometry to five equivalent Ho and four equivalent Rh atoms.
DOI: 10.17188/1195836
title: Materials Data on ErNiGe by Materials Project

description: ErNiGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Ge atoms. There are a spread of Er–Ni bond distances ranging from 2.90–3.14 Å. There are a spread of Er–Ge bond distances ranging from 2.93–3.06 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.44–2.67 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Ni atoms.
DOI: 10.17188/1195837
title: Materials Data on Gd(CuSi)2 by Materials Project

description: GdCu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Gd–Si bond lengths are 3.07 Å. Cu+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CuSi4 tetrahedra. All Cu–Si bond lengths are 2.40 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Gd3+, four equivalent Cu+2.50+, and one Si4- atom. The Si–Si bond length is 2.36 Å.
DOI: 10.17188/1195838
title: Materials Data on Co3SnC by Materials Project

description: SnCCo3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Co is bonded in a linear geometry to four equivalent Sn and two equivalent C atoms. All Co–Sn bond lengths are 2.72 Å. Both Co–C bond lengths are 1.92 Å. Sn is bonded to twelve equivalent Co atoms to form SnCo12 cuboctahedra that share corners with twelve equivalent SnCo12 cuboctahedra, faces with six equivalent SnCo12 cuboctahedra, and faces with eight equivalent CCo6 octahedra. C is bonded to six equivalent Co atoms to form CCo6 octahedra that share corners with six equivalent CCo6 octahedra and faces with eight equivalent SnCo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195839
title: Materials Data on RhF3 by Materials Project

description: RhF3 is Upper Bainite-like structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Rh3+ is bonded to six equivalent F1- atoms to form corner-sharing RhF6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Rh–F bond lengths are 2.02 Å. F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Rh3+ atoms.
DOI: 10.17188/1195840
title: Materials Data on Ce4Sb3 by Materials Project

description: Ce4Sb3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Ce is bonded to six equivalent Sb atoms to form a mixture of distorted corner, edge, and face-sharing CeSb6 octahedra. The corner-sharing octahedra tilt angles range from 18–49°. There are three shorter (3.16 Å) and three longer (3.38 Å) Ce–Sb bond lengths. Sb is bonded to eight equivalent Ce atoms to form a mixture of distorted corner, edge, and face-sharing SbCe8 hexagonal bipyramids.