cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1197586
title: Materials Data on CeReB4 by Materials Project

description: CeReB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ce3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Ce–B bond distances ranging from 2.71–2.83 Å. Re3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Re–B bond distances ranging from 2.32–2.44 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ce3+, two equivalent Re3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.76–1.87 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Ce3+, four equivalent Re3+, and three B+1.50- atoms. There is one shorter (1.72 Å) and one longer (1.75 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ce3+, two equivalent Re3+, and three B+1.50- atoms. The B–B bond length is 1.85 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to four equivalent Ce3+, two equivalent Re3+, and three B+1.50- atoms. The B–B bond length is 1.81 Å.
DOI: 10.17188/1197587
title: Materials Data on Eu3RuO7 by Materials Project

description: Eu3RuO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent RuO6 octahedra, corners with three equivalent EuO7 pentagonal bipyramids, edges with two equivalent RuO6 octahedra, and edges with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. There are a spread of Eu–O bond distances ranging from 2.26–2.62 Å. In the second Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.39 Å) and four longer (2.74 Å) Eu–O bond lengths. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with two equivalent RuO6 octahedra, corners with four equivalent EuO7 pentagonal bipyramids, and edges with four equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. There is four shorter (1.94 Å) and two longer (1.99 Å) Ru–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Eu3+ and two equivalent Ru5+ atoms. In the second O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Ru5+ atom.
DOI: 10.17188/1197588
title: Materials Data on PdPbO2 by Materials Project

description: PbPdO2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.06 Å. Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Pb–O bond lengths are 2.38 Å. O2- is bonded to two equivalent Pd2+ and two equivalent Pb2+ atoms to form a mixture of corner and edge-sharing OPd2Pb2 tetrahedra.
DOI: 10.17188/1197589
title: Materials Data on FeSb6(Pb2S7)2 by Materials Project

description: FePb4Sb6S14 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Fe2+ is bonded to six S2- atoms to form edge-sharing FeS6 octahedra. There are a spread of Fe–S bond distances ranging from 2.36–2.69 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.97–3.61 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.89–3.46 Å. There are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Sb–S bond distances ranging from 2.49–3.13 Å. In the second Sb3+ site, Sb3+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing SbS5 square pyramids. There are a spread of Sb–S bond distances ranging from 2.48–3.07 Å. In the third Sb3+ site, Sb3+ is bonded to five S2- atoms to form a mixture of distorted edge and corner-sharing SbS5 square pyramids. There are a spread of Sb–S bond distances ranging from 2.47–3.19 Å. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Fe2+, one Pb2+, and two equivalent Sb3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Fe2+, two equivalent Pb2+, and one Sb3+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four Pb2+ and one Sb3+ atom. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to two Pb2+ and two equivalent Sb3+ atoms. In the fifth S2- site, S2- is bonded to one Pb2+ and four Sb3+ atoms to form a mixture of distorted edge and corner-sharing SSb4Pb square pyramids. In the sixth S2- site, S2- is bonded to one Pb2+ and four Sb3+ atoms to form a mixture of distorted edge and corner-sharing SSb4Pb square pyramids. In the seventh S2- site, S2- is bonded in a 1-coordinate geometry to four Pb2+ and one Sb3+ atom.
DOI: 10.17188/1197591
title: Materials Data on TeO2 by Materials Project

description: TeO2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Te4+ is bonded to six equivalent O2- atoms to form a mixture of corner and edge-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two shorter (2.18 Å) and four longer (2.23 Å) Te–O bond lengths. O2- is bonded in a distorted trigonal planar geometry to three equivalent Te4+ atoms.
DOI: 10.17188/1197592
title: Materials Data on Mn6Ni16P7 by Materials Project

description: Mn6Ni16P7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a 4-coordinate geometry to eight Ni and four equivalent P atoms. There are four shorter (2.57 Å) and four longer (2.78 Å) Mn–Ni bond lengths. All Mn–P bond lengths are 2.82 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Mn, three equivalent Ni, and three equivalent P atoms. All Ni–Ni bond lengths are 2.51 Å. All Ni–P bond lengths are 2.24 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent Mn, six Ni, and four P atoms. All Ni–Ni bond lengths are 2.56 Å. There are one shorter (2.22 Å) and three longer (2.43 Å) Ni–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded to four equivalent Mn and eight Ni atoms to form a mixture of distorted face and corner-sharing PMn4Ni8 cuboctahedra. In the second P site, P is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.
DOI: 10.17188/1197593
title: Materials Data on U(CuSi)2 by Materials Project

description: UCu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U6+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All U–Si bond lengths are 3.01 Å. Cu1+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CuSi4 tetrahedra. All Cu–Si bond lengths are 2.38 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent U6+, four equivalent Cu1+, and one Si4- atom. The Si–Si bond length is 2.31 Å.
DOI: 10.17188/1197594
title: Materials Data on In2S3 by Materials Project

description: In2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. In3+ is bonded to six equivalent S2- atoms to form a mixture of distorted corner, edge, and face-sharing InS6 octahedra. The corner-sharing octahedra tilt angles range from 48–62°. There are three shorter (2.60 Å) and three longer (2.73 Å) In–S bond lengths. S2- is bonded to four equivalent In3+ atoms to form a mixture of distorted corner and edge-sharing SIn4 trigonal pyramids.
DOI: 10.17188/1197595
title: Materials Data on PrNiSn by Materials Project

description: PrNiSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Ni and six equivalent Sn atoms. There are four shorter (3.04 Å) and one longer (3.07 Å) Pr–Ni bond lengths. There are two shorter (3.25 Å) and four longer (3.37 Å) Pr–Sn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Sn atoms. All Ni–Sn bond lengths are 2.85 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Sn atoms. All Ni–Sn bond lengths are 2.76 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Pr and four Ni atoms.
DOI: 10.17188/1197596
title: Materials Data on ZrCoSb by Materials Project

description: ZrCoSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr2+ is bonded to four equivalent Sb3- atoms to form ZrSb4 tetrahedra that share corners with four equivalent CoSb4 tetrahedra, corners with twelve equivalent ZrSb4 tetrahedra, and edges with six equivalent CoSb4 tetrahedra. All Zr–Sb bond lengths are 2.74 Å. Co1+ is bonded to four equivalent Sb3- atoms to form CoSb4 tetrahedra that share corners with four equivalent ZrSb4 tetrahedra, corners with twelve equivalent CoSb4 tetrahedra, and edges with six equivalent ZrSb4 tetrahedra. All Co–Sb bond lengths are 2.74 Å. Sb3- is bonded in a body-centered cubic geometry to four equivalent Zr2+ and four equivalent Co1+ atoms.
DOI: 10.7302/ck50-gf69
title: Computed tomography voxel dataset for UMMZ:mammals:112694-Peromyscus AZTECUS EVIDES-Skull
DOI: 10.17188/1197597
title: Materials Data on CsCd(NO2)3 by Materials Project

description: Cs(NO2)3Cd crystallizes in the cubic Pm-3 space group. The structure is three-dimensional and consists of one cadmium molecule and one Cs(NO2)3 framework. In the Cs(NO2)3 framework, Cs1+ is bonded to twelve equivalent O2- atoms to form edge-sharing CsO12 cuboctahedra. All Cs–O bond lengths are 3.56 Å. N3+ is bonded in a linear geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.24 Å. O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one N3+ atom.
DOI: 10.17188/1197598
title: Materials Data on Y3(Co2Sn)4 by Materials Project

description: Y3(Co2Sn)4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to eight Co and six Sn atoms. There are a spread of Y–Co bond distances ranging from 3.06–3.49 Å. There are a spread of Y–Sn bond distances ranging from 3.19–3.27 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Y, seven Co, and three equivalent Sn atoms to form a mixture of distorted corner and face-sharing CoY2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.61 Å. There are one shorter (2.64 Å) and two longer (2.67 Å) Co–Sn bond lengths. In the second Co site, Co is bonded to nine Co and three equivalent Sn atoms to form face-sharing CoCo9Sn3 cuboctahedra. All Co–Co bond lengths are 2.49 Å. All Co–Sn bond lengths are 2.71 Å. In the third Co site, Co is bonded in a 7-coordinate geometry to six equivalent Y and four Sn atoms. There are three shorter (2.50 Å) and one longer (2.78 Å) Co–Sn bond lengths. In the fourth Co site, Co is bonded in a 12-coordinate geometry to four equivalent Y, four Co, and four Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.70–2.79 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Y and eight Co atoms. In the second Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Y and four Co atoms.
DOI: 10.17188/1197599
title: Materials Data on Dy2C3 by Materials Project

description: Dy2C3 is Plutonium carbide structured and crystallizes in the cubic I-43d space group. The structure is three-dimensional. Dy3+ is bonded in a 6-coordinate geometry to nine equivalent C2- atoms. There are a spread of Dy–C bond distances ranging from 2.51–2.82 Å. C2- is bonded to six equivalent Dy3+ and one C2- atom to form a mixture of distorted face, edge, and corner-sharing CDy6C trigonal bipyramids. The C–C bond length is 1.34 Å.
DOI: 10.17188/1197600
title: Materials Data on TbInAg2 by Materials Project

description: TbAg2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to eight equivalent Ag and six equivalent In atoms. All Tb–Ag bond lengths are 3.04 Å. All Tb–In bond lengths are 3.51 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent In atoms. All Ag–In bond lengths are 3.04 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Tb and eight equivalent Ag atoms.
DOI: 10.17188/1197601
title: Materials Data on Pu(CoSi)2 by Materials Project

description: PuCo2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pu4+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Pu–Si bond lengths are 3.01 Å. Co2+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.28 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pu4+, four equivalent Co2+, and one Si4- atom. The Si–Si bond length is 2.52 Å.
DOI: 10.17188/1197602
title: Materials Data on DyInPt by Materials Project

description: DyPtIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to five Pt and six equivalent In atoms. There are four shorter (3.03 Å) and one longer (3.12 Å) Dy–Pt bond lengths. There are two shorter (3.21 Å) and four longer (3.35 Å) Dy–In bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent In atoms. All Pt–In bond lengths are 2.79 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent In atoms. All Pt–In bond lengths are 2.88 Å. In is bonded in a 10-coordinate geometry to six equivalent Dy and four Pt atoms.
DOI: 10.17188/1197603
title: Materials Data on Np(Al2Fe)4 by Materials Project

description: NpFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Np–Fe bond lengths are 3.32 Å. There are four shorter (2.97 Å) and eight longer (3.15 Å) Np–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Np, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.51 Å. There are four shorter (2.52 Å) and four longer (2.64 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Np, four equivalent Fe, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.80 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one Np, four equivalent Fe, and five Al atoms. The Al–Al bond length is 2.75 Å.
DOI: 10.17188/1197604
title: Materials Data on InAgTe2 by Materials Project

description: AgInTe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Te2- atoms to form AgTe4 tetrahedra that share corners with four equivalent AgTe4 tetrahedra and corners with eight equivalent InTe4 tetrahedra. All Ag–Te bond lengths are 2.82 Å. In3+ is bonded to four equivalent Te2- atoms to form InTe4 tetrahedra that share corners with four equivalent InTe4 tetrahedra and corners with eight equivalent AgTe4 tetrahedra. All In–Te bond lengths are 2.85 Å. Te2- is bonded to two equivalent Ag1+ and two equivalent In3+ atoms to form corner-sharing TeIn2Ag2 tetrahedra.
DOI: 10.17188/1197605
title: Materials Data on U2N3 by Materials Project

description: U2N3 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent U+4.50+ sites. In the first U+4.50+ site, U+4.50+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge and corner-sharing UN6 octahedra. The corner-sharing octahedral tilt angles are 59°. All U–N bond lengths are 2.27 Å. In the second U+4.50+ site, U+4.50+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge and corner-sharing UN6 octahedra. The corner-sharing octahedra tilt angles range from 59–61°. There are a spread of U–N bond distances ranging from 2.25–2.33 Å. N3- is bonded to four U+4.50+ atoms to form a mixture of edge and corner-sharing NU4 tetrahedra.
DOI: 10.17188/1197606
title: Materials Data on Mn3Sn by Materials Project

description: Mn3Sn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc 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 Sn atoms to form distorted MnMn8Sn4 cuboctahedra that share corners with four equivalent SnMn12 cuboctahedra, corners with fourteen equivalent MnMn8Sn4 cuboctahedra, edges with six equivalent SnMn12 cuboctahedra, edges with twelve MnMn8Sn4 cuboctahedra, faces with four equivalent SnMn12 cuboctahedra, and faces with sixteen MnMn8Sn4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.72–2.87 Å. All Mn–Sn bond lengths are 2.80 Å. In the second Mn site, Mn is bonded to eight equivalent Mn and four equivalent Sn atoms to form distorted MnMn8Sn4 cuboctahedra that share corners with four equivalent SnMn12 cuboctahedra, corners with fourteen MnMn8Sn4 cuboctahedra, edges with six equivalent SnMn12 cuboctahedra, edges with twelve equivalent MnMn8Sn4 cuboctahedra, faces with four equivalent SnMn12 cuboctahedra, and faces with sixteen MnMn8Sn4 cuboctahedra. All Mn–Sn bond lengths are 2.80 Å. Sn is bonded to twelve Mn atoms to form SnMn12 cuboctahedra that share corners with six equivalent SnMn12 cuboctahedra, corners with twelve MnMn8Sn4 cuboctahedra, edges with eighteen MnMn8Sn4 cuboctahedra, faces with eight equivalent SnMn12 cuboctahedra, and faces with twelve MnMn8Sn4 cuboctahedra.
DOI: 10.17188/1197607
title: Materials Data on SrRuO3 by Materials Project

description: SrRuO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–3.00 Å. Ru4+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are a spread of Ru–O bond distances ranging from 2.01–2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+ and two equivalent Ru4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sr2+ and two equivalent Ru4+ atoms.
DOI: 10.17188/1197608
title: Materials Data on SmCuSeF by Materials Project

description: SmCuSeF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to four equivalent Se2- and four equivalent F1- atoms. All Sm–Se bond lengths are 2.95 Å. All Sm–F bond lengths are 2.51 Å. Cu1+ is bonded to four equivalent Se2- atoms to form a mixture of distorted edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.67 Å. Se2- is bonded in a 12-coordinate geometry to four equivalent Sm2+ and four equivalent Cu1+ atoms. F1- is bonded to four equivalent Sm2+ atoms to form a mixture of distorted edge and corner-sharing FSm4 tetrahedra.
DOI: 10.17188/1197609
title: Materials Data on ThRu3C by Materials Project

description: ThRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to twelve equivalent Ru atoms to form ThRu12 cuboctahedra that share corners with twelve equivalent ThRu12 cuboctahedra, faces with six equivalent ThRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Th–Ru bond lengths are 2.99 Å. Ru is bonded to four equivalent Th and two equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing RuTh4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.12 Å. C is bonded to six equivalent Ru atoms to form CRu6 octahedra that share corners with six equivalent CRu6 octahedra and faces with eight equivalent ThRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1197610
title: Materials Data on KCeSe4 by Materials Project

description: KCeSe4 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent Se+1.25- atoms. All K–Se bond lengths are 3.48 Å. Ce4+ is bonded in a 8-coordinate geometry to eight equivalent Se+1.25- atoms. All Ce–Se bond lengths are 3.05 Å. Se+1.25- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent Ce4+, and one Se+1.25- atom. The Se–Se bond length is 2.46 Å.
DOI: 10.17188/1197611
title: Materials Data on Nb4SiNi by Materials Project

description: Nb4NiSi is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mcc space group. The structure is three-dimensional. Nb is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Si atoms. Both Nb–Ni bond lengths are 2.63 Å. Both Nb–Si bond lengths are 2.69 Å. Ni is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.49 Å. Si is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Si atoms. Both Si–Si bond lengths are 2.49 Å.
DOI: 10.17188/1197612
title: Materials Data on Nd(GeRu)2 by Materials Project

description: NdRu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight equivalent Ru and eight equivalent Ge atoms. All Nd–Ru bond lengths are 3.32 Å. All Nd–Ge bond lengths are 3.32 Å. Ru is bonded in a 4-coordinate geometry to four equivalent Nd and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.46 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Nd, four equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.68 Å.
DOI: 10.17188/1197613
title: Materials Data on Yb2S2O by Materials Project

description: Yb2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a distorted single-bond geometry to five S2- and one O2- atom. There are a spread of Yb–S bond distances ranging from 2.83–3.15 Å. The Yb–O bond length is 2.03 Å. In the second Yb3+ site, Yb3+ is bonded in a 3-coordinate geometry to four S2- and three equivalent O2- atoms. There are a spread of Yb–S bond distances ranging from 2.78–3.16 Å. There are a spread of Yb–O bond distances ranging from 2.22–2.43 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Yb3+ and one S2- atom. The S–S bond length is 2.15 Å. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Yb3+ and one S2- atom. The S–S bond length is 2.15 Å. O2- is bonded to four Yb3+ atoms to form a mixture of distorted edge and corner-sharing OYb4 tetrahedra.