cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7302/xajf-hw22
title: Computed tomography voxel dataset for ummz:mammals:154691-Blarina brevicauda brevicauda-WholeBody
DOI: 10.17188/1195882
title: Materials Data on NpTeAs by Materials Project

description: NpAsTe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Np5+ is bonded in a 9-coordinate geometry to four equivalent As3- and five equivalent Te2- atoms. All Np–As bond lengths are 3.02 Å. There are four shorter (3.10 Å) and one longer (3.38 Å) Np–Te bond lengths. As3- is bonded in a 8-coordinate geometry to four equivalent Np5+ and four equivalent As3- atoms. All As–As bond lengths are 2.92 Å. Te2- is bonded in a 5-coordinate geometry to five equivalent Np5+ atoms.
DOI: 10.17188/1195883
title: Materials Data on CeFeGe3 by Materials Project

description: CeFeGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to five equivalent Fe and twelve Ge atoms. There are one shorter (3.27 Å) and four longer (3.48 Å) Ce–Fe bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.09–3.38 Å. Fe is bonded in a 5-coordinate geometry to five equivalent Ce and five Ge atoms. There are one shorter (2.26 Å) and four longer (2.33 Å) Fe–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Ce, two equivalent Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.80 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Ce, one Fe, and four equivalent Ge atoms.
DOI: 10.17188/1195884
title: Materials Data on Ca2PbAu2 by Materials Project

description: Ca2Au2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Pb atoms. There are two shorter (3.04 Å) and four longer (3.11 Å) Ca–Au bond lengths. All Ca–Pb bond lengths are 3.59 Å. Au is bonded in a 6-coordinate geometry to six equivalent Ca and two equivalent Pb atoms. Both Au–Pb bond lengths are 3.28 Å. Pb is bonded to eight equivalent Ca and four equivalent Au atoms to form a mixture of corner and face-sharing PbCa8Au4 cuboctahedra.
DOI: 10.17188/1195885
title: Materials Data on Mg2Pb by Materials Project

description: Mg2Pb is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded to four equivalent Pb atoms to form a mixture of edge and corner-sharing MgPb4 tetrahedra. All Mg–Pb bond lengths are 3.00 Å. Pb is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1195886
title: Materials Data on PbO2 by Materials Project

description: PbO2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Pb4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing PbO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Pb–O bond lengths are 2.21 Å. O2- is bonded in a trigonal planar geometry to three equivalent Pb4+ atoms.
DOI: 10.17188/1195887
title: Materials Data on SrCaSn by Materials Project

description: SrCaSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Sr–Sn bond distances ranging from 3.49–3.76 Å. Ca is bonded to four equivalent Sn atoms to form a mixture of distorted edge and corner-sharing CaSn4 tetrahedra. There are a spread of Ca–Sn bond distances ranging from 3.21–3.29 Å. Sn is bonded in a 9-coordinate geometry to five equivalent Sr and four equivalent Ca atoms.
DOI: 10.17188/1195888
title: Materials Data on Sb2PbO6 by Materials Project

description: PbSb2O6 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Pb2+ is bonded to six equivalent O2- atoms to form PbO6 octahedra that share corners with twelve equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Pb–O bond lengths are 2.60 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent PbO6 octahedra and edges with three equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Sb–O bond lengths are 2.03 Å. O2- is bonded in a distorted trigonal planar geometry to one Pb2+ and two equivalent Sb5+ atoms.
DOI: 10.17188/1195889
title: Materials Data on GdNi2B2C by Materials Project

description: GdNi2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd3+ is bonded in a square co-planar geometry to four equivalent C2- atoms. All Gd–C bond lengths are 2.54 Å. Ni+2.50+ is bonded to four equivalent B3- atoms to form NiB4 tetrahedra that share corners with four equivalent CGd4B2 octahedra, corners with four equivalent NiB4 tetrahedra, and edges with four equivalent NiB4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. All Ni–B bond lengths are 2.09 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Ni+2.50+ and one C2- atom. The B–C bond length is 1.50 Å. C2- is bonded to four equivalent Gd3+ and two equivalent B3- atoms to form distorted CGd4B2 octahedra that share corners with four equivalent CGd4B2 octahedra, corners with eight equivalent NiB4 tetrahedra, and edges with four equivalent CGd4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195890
title: Materials Data on LaIn3 by Materials Project

description: LaIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded to twelve equivalent In atoms to form LaIn12 cuboctahedra that share corners with twelve equivalent LaIn12 cuboctahedra, edges with twenty-four equivalent InLa4In8 cuboctahedra, faces with six equivalent LaIn12 cuboctahedra, and faces with twelve equivalent InLa4In8 cuboctahedra. All La–In bond lengths are 3.39 Å. In is bonded to four equivalent La and eight equivalent In atoms to form distorted InLa4In8 cuboctahedra that share corners with twelve equivalent InLa4In8 cuboctahedra, edges with eight equivalent LaIn12 cuboctahedra, edges with sixteen equivalent InLa4In8 cuboctahedra, faces with four equivalent LaIn12 cuboctahedra, and faces with fourteen equivalent InLa4In8 cuboctahedra. All In–In bond lengths are 3.39 Å.
DOI: 10.17188/1195891
title: Materials Data on HfCo2Sn by Materials Project

description: HfCo2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a distorted body-centered cubic geometry to eight equivalent Co and six equivalent Sn atoms. All Hf–Co bond lengths are 2.71 Å. All Hf–Sn bond lengths are 3.13 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Hf and four equivalent Sn atoms. All Co–Sn bond lengths are 2.71 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Hf and eight equivalent Co atoms.
DOI: 10.17188/1195892
title: Materials Data on In2HgSe4 by Materials Project

description: HgIn2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with eight InSe4 tetrahedra. All Hg–Se bond lengths are 2.73 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.65 Å. In the second In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Hg2+ and two In3+ atoms.
DOI: 10.17188/1195893
title: Materials Data on EuAsPt by Materials Project

description: EuPtAs is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Eu3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing EuAs6Pt6 cuboctahedra. There are four shorter (3.26 Å) and two longer (3.30 Å) Eu–Pt bond lengths. There are four shorter (3.25 Å) and two longer (3.32 Å) Eu–As bond lengths. Pt2- is bonded in a 9-coordinate geometry to six equivalent Eu3+ and three equivalent As1- atoms. All Pt–As bond lengths are 2.49 Å. As1- is bonded in a 9-coordinate geometry to six equivalent Eu3+ and three equivalent Pt2- atoms.
DOI: 10.17188/1195898
title: Materials Data on ErSiIr by Materials Project

description: ErIrSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Si atoms. There are a spread of Er–Ir bond distances ranging from 3.01–3.23 Å. There are a spread of Er–Si bond distances ranging from 2.91–3.00 Å. Ir is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Si atoms. There are a spread of Ir–Si bond distances ranging from 2.48–2.60 Å. Si is bonded in a 9-coordinate geometry to five equivalent Er and four equivalent Ir atoms.
DOI: 10.17188/1195899
title: Materials Data on Ce3Sn by Materials Project

description: Ce3Sn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a distorted square co-planar geometry to four equivalent Sn atoms. All Ce–Sn bond lengths are 3.39 Å. Sn is bonded to twelve equivalent Ce atoms to form a mixture of corner and face-sharing SnCe12 cuboctahedra.
DOI: 10.17188/1195900
title: Materials Data on Ce by Materials Project

description: Ce is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Ce atoms to form a mixture of edge, face, and corner-sharing CeCe12 cuboctahedra. There are six shorter (3.26 Å) and six longer (3.44 Å) Ce–Ce bond lengths.
DOI: 10.17188/1195901
title: Materials Data on KNaEuNbO5 by Materials Project

description: KNaEuNbO5 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All K–O bond lengths are 2.90 Å. Na1+ is bonded to five O2- atoms to form distorted NaO5 trigonal bipyramids that share corners with five equivalent NbO5 trigonal bipyramids. There are four shorter (2.31 Å) and one longer (2.34 Å) Na–O bond lengths. Eu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Eu–O bond lengths are 2.49 Å. Nb5+ is bonded to five O2- atoms to form distorted NbO5 trigonal bipyramids that share corners with five equivalent NaO5 trigonal bipyramids. There is one shorter (1.87 Å) and four longer (1.98 Å) Nb–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent K1+, one Na1+, and one Nb5+ atom to form a mixture of distorted corner and edge-sharing OK4NaNb octahedra. The corner-sharing octahedral tilt angles are 12°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent Eu3+, and one Nb5+ atom.
DOI: 10.17188/1195902
title: Materials Data on FeSi2 by Materials Project

description: FeSi2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Fe is bonded in a body-centered cubic geometry to eight equivalent Si atoms. All Fe–Si bond lengths are 2.37 Å. Si is bonded in a 9-coordinate geometry to four equivalent Fe and one Si atom. The Si–Si bond length is 2.34 Å.
DOI: 10.17188/1195903
title: Materials Data on DyGePt by Materials Project

description: DyPtGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Pt and six equivalent Ge atoms. There are a spread of Dy–Pt bond distances ranging from 3.02–3.26 Å. There are a spread of Dy–Ge bond distances ranging from 3.02–3.23 Å. Pt is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.56–2.78 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Pt atoms.
DOI: 10.17188/1195904
title: Materials Data on Li3Sb by Materials Project

description: Li3Sb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six equivalent Sb3- atoms to form LiSb6 octahedra that share corners with six equivalent LiSb6 octahedra, corners with twenty-four equivalent LiSb4 tetrahedra, edges with twelve equivalent LiSb6 octahedra, and faces with eight equivalent LiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Sb bond lengths are 3.28 Å. In the second Li1+ site, Li1+ is bonded to four equivalent Sb3- atoms to form LiSb4 tetrahedra that share corners with twelve equivalent LiSb6 octahedra, corners with sixteen equivalent LiSb4 tetrahedra, edges with six equivalent LiSb4 tetrahedra, and faces with four equivalent LiSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Li–Sb bond lengths are 2.84 Å. Sb3- is bonded in a body-centered cubic geometry to fourteen Li1+ atoms.
DOI: 10.17188/1195905
title: Materials Data on Tl4Te3Pb by Materials Project

description: Tl4PbTe3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tl1+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.22–3.65 Å. Pb2+ is bonded to six Te2- atoms to form corner-sharing PbTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–38°. There are four shorter (3.36 Å) and two longer (3.38 Å) Pb–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to six equivalent Tl1+ and two equivalent Pb2+ atoms. In the second Te2- site, Te2- is bonded in a 10-coordinate geometry to eight equivalent Tl1+ and two equivalent Pb2+ atoms.
DOI: 10.17188/1195906
title: Materials Data on ReO3 by Materials Project

description: ReO3 is alpha Rhenium trioxide structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Re6+ is bonded to six equivalent O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Re–O bond lengths are 1.90 Å. O2- is bonded in a linear geometry to two equivalent Re6+ atoms.
DOI: 10.17188/1195907
title: Materials Data on EuPSe3 by Materials Project

description: EuPSe3 is Zircon-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.14–3.36 Å. P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.21 Å) and two longer (2.22 Å) P–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Eu2+ and one P4+ atom. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to three equivalent Eu2+ and one P4+ atom. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent Eu2+ and one P4+ atom.
DOI: 10.17188/1195908
title: Materials Data on LaInPd2 by Materials Project

description: LaPd2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Pd atoms. There are two shorter (3.08 Å) and six longer (3.16 Å) La–Pd bond lengths. Pd is bonded in a 7-coordinate geometry to four equivalent La and three equivalent In atoms. All Pd–In bond lengths are 2.82 Å. In is bonded to six equivalent Pd atoms to form distorted edge-sharing InPd6 cuboctahedra.
DOI: 10.17188/1195909
title: Materials Data on ZrInNi2 by Materials Project

description: ZrNi2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Ni and six equivalent In atoms. All Zr–Ni bond lengths are 2.73 Å. All Zr–In bond lengths are 3.16 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent In atoms. All Ni–In bond lengths are 2.73 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Zr and eight equivalent Ni atoms.
DOI: 10.17188/1195910
title: Materials Data on Pb by Materials Project

description: Pb is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pb is bonded to twelve equivalent Pb atoms to form a mixture of face, edge, and corner-sharing PbPb12 cuboctahedra. There are six shorter (3.55 Å) and six longer (3.57 Å) Pb–Pb bond lengths.
DOI: 10.17188/1195911
title: Materials Data on YbIn2Au by Materials Project

description: YbAuIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 1-coordinate geometry to three equivalent Au and ten equivalent In atoms. There are one shorter (3.11 Å) and two longer (3.25 Å) Yb–Au bond lengths. There are a spread of Yb–In bond distances ranging from 3.32–3.58 Å. Au is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent In atoms. There are two shorter (2.86 Å) and four longer (2.89 Å) Au–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Yb and three equivalent Au atoms.
DOI: 10.17188/1195912
title: Materials Data on LiSi3Pd by Materials Project

description: LiPdSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Li is bonded in a 9-coordinate geometry to four equivalent Pd and five Si atoms. All Li–Pd bond lengths are 2.94 Å. There are one shorter (2.65 Å) and four longer (2.76 Å) Li–Si bond lengths. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Si atoms. All Pd–Si bond lengths are 2.60 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to two equivalent Li and six Si atoms. There are four shorter (2.42 Å) and two longer (2.61 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 5-coordinate geometry to one Li, four equivalent Pd, and four equivalent Si atoms.
DOI: 10.17188/1195913
title: Materials Data on Dy4In(NiGe2)2 by Materials Project

description: Dy4In(NiGe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to three equivalent Ni, two equivalent In, and five Ge atoms. There are one shorter (2.98 Å) and two longer (3.31 Å) Dy–Ni bond lengths. Both Dy–In bond lengths are 3.35 Å. There are a spread of Dy–Ge bond distances ranging from 2.92–3.08 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to three equivalent Ni, two equivalent In, and seven Ge atoms. There are two shorter (3.04 Å) and one longer (3.06 Å) Dy–Ni bond lengths. Both Dy–In bond lengths are 3.41 Å. There are a spread of Dy–Ge bond distances ranging from 2.97–3.29 Å. Ni is bonded in a 10-coordinate geometry to six Dy and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.39–2.57 Å. In is bonded to eight Dy and four Ge atoms to form face-sharing InDy8Ge4 cuboctahedra. There are two shorter (2.88 Å) and two longer (3.14 Å) In–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, one Ni, one In, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Dy, three equivalent Ni, and one In atom.
DOI: 10.17188/1195914
title: Materials Data on Si3N4 by Materials Project

description: Si3N4 is Hausmannite structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to six equivalent N3- atoms to form SiN6 octahedra that share corners with six equivalent SiN4 tetrahedra and edges with six equivalent SiN6 octahedra. All Si–N bond lengths are 1.89 Å. In the second Si4+ site, Si4+ is bonded to four equivalent N3- atoms to form corner-sharing SiN4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. All Si–N bond lengths are 1.79 Å. N3- is bonded in a distorted rectangular see-saw-like geometry to four Si4+ atoms.
DOI: 10.17188/1195915
title: Materials Data on Tb3SnC by Materials Project

description: Tb3SnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Tb3Sn framework. In the Tb3Sn framework, Tb is bonded in a linear geometry to two equivalent Sn atoms. Both Tb–Sn bond lengths are 2.82 Å. Sn is bonded to six equivalent Tb atoms to form corner-sharing SnTb6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195916
title: Materials Data on Pu(CuSi)2 by Materials Project

description: Pu(CuSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pu6+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Pu–Si bond lengths are 3.05 Å. Cu1+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing CuSi4 tetrahedra. All Cu–Si bond lengths are 2.39 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pu6+, four equivalent Cu1+, and one Si4- atom. The Si–Si bond length is 2.35 Å.
DOI: 10.17188/1195917
title: Materials Data on Ce(Sn3Ru2)2 by Materials Project

description: CeRu4Sn6 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Ru and twelve Sn atoms. All Ce–Ru bond lengths are 3.27 Å. There are a spread of Ce–Sn bond distances ranging from 3.38–3.78 Å. Ru is bonded in a 7-coordinate geometry to one Ce and six Sn atoms. There are a spread of Ru–Sn bond distances ranging from 2.61–2.78 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Ce and four equivalent Ru atoms. In the second Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Ce and four equivalent Ru atoms.
DOI: 10.17188/1195918
title: Materials Data on CeCoC2 by Materials Project

description: CeCoC2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Ce4+ is bonded in a 8-coordinate geometry to eight C3- atoms. There are a spread of Ce–C bond distances ranging from 2.64–2.74 Å. Co2+ is bonded in a 4-coordinate geometry to four C3- atoms. There are a spread of Co–C bond distances ranging from 1.94–1.99 Å. There are two inequivalent C3- sites. In the first C3- site, C3- is bonded in a 7-coordinate geometry to four equivalent Ce4+, two equivalent Co2+, and one C3- atom. The C–C bond length is 1.40 Å. In the second C3- site, C3- is bonded in a 7-coordinate geometry to four equivalent Ce4+, two equivalent Co2+, and one C3- atom.