cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1196590
title: Materials Data on EuSi by Materials Project

description: SiEu crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 7-coordinate geometry to seven equivalent Si atoms. There are a spread of Eu–Si bond distances ranging from 3.14–3.26 Å. Si is bonded in a 9-coordinate geometry to seven equivalent Eu and two equivalent Si atoms. Both Si–Si bond lengths are 2.46 Å.
DOI: 10.17188/1196591
title: Materials Data on Sn4Pd by Materials Project

description: PdSn4 crystallizes in the orthorhombic Aea2 space group. The structure is two-dimensional and consists of two PdSn4 sheets oriented in the (0, 1, 0) direction. Pd is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.82–2.85 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to two equivalent Pd atoms. In the second Sn site, Sn is bonded in a 2-coordinate geometry to two equivalent Pd atoms.
DOI: 10.17188/1196592
title: Materials Data on BaPbO3 by Materials Project

description: BaPbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent PbO6 octahedra. All Ba–O bond lengths are 3.08 Å. Pb4+ is bonded to six equivalent O2- atoms to form PbO6 octahedra that share corners with six equivalent PbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–O bond lengths are 2.18 Å. O2- is bonded to four equivalent Ba2+ and two equivalent Pb4+ atoms to form a mixture of distorted corner, edge, and face-sharing OBa4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1196593
title: Materials Data on Th(MnGe)2 by Materials Project

description: Th(MnGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Th–Ge bond lengths are 3.15 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 2.45 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Th, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.67 Å.
DOI: 10.17188/1196594
title: Materials Data on Na2SO3 by Materials Project

description: Na2SO3 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 3-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.42 Å) and three longer (2.86 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to six equivalent O2- atoms to form face-sharing NaO6 octahedra. All Na–O bond lengths are 2.37 Å. In the third Na1+ site, Na1+ is bonded to six equivalent O2- atoms to form face-sharing NaO6 octahedra. All Na–O bond lengths are 2.49 Å. S4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All S–O bond lengths are 1.55 Å. O2- is bonded in a 5-coordinate geometry to four Na1+ and one S4+ atom.
DOI: 10.17188/1196595
title: Materials Data on Cs2PbO3 by Materials Project

description: Cs2PbO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.01–3.63 Å. Pb4+ is bonded to five O2- atoms to form distorted edge-sharing PbO5 trigonal bipyramids. There are one shorter (2.07 Å) and four longer (2.23 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to six equivalent Cs1+ and one Pb4+ atom. In the second O2- site, O2- is bonded to four equivalent Cs1+ and two equivalent Pb4+ atoms to form a mixture of distorted edge, face, and corner-sharing OCs4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 37–48°.
DOI: 10.17188/1196596
title: Materials Data on LiMnAs by Materials Project

description: LiMnAs is Fluorite-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to four equivalent As3- atoms to form LiAs4 tetrahedra that share corners with four equivalent LiAs4 tetrahedra, corners with twelve equivalent MnAs4 tetrahedra, edges with two equivalent MnAs4 tetrahedra, and edges with four equivalent LiAs4 tetrahedra. All Li–As bond lengths are 2.57 Å. Mn2+ is bonded to four equivalent As3- atoms to form MnAs4 tetrahedra that share corners with four equivalent MnAs4 tetrahedra, corners with twelve equivalent LiAs4 tetrahedra, edges with two equivalent LiAs4 tetrahedra, and edges with four equivalent MnAs4 tetrahedra. All Mn–As bond lengths are 2.41 Å. As3- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Mn2+ atoms.
DOI: 10.17188/1196597
title: Materials Data on MnCoGe by Materials Project

description: MnCoGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn is bonded in a 11-coordinate geometry to six equivalent Co and five equivalent Ge atoms. There are a spread of Mn–Co bond distances ranging from 2.70–2.81 Å. There are a spread of Mn–Ge bond distances ranging from 2.57–2.63 Å. Co is bonded in a 12-coordinate geometry to six equivalent Mn and four equivalent Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.33–2.37 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Mn and four equivalent Co atoms.
DOI: 10.17188/1196598
title: Materials Data on Gd(SiAg)2 by Materials Project

description: Gd(AgSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd3+ is bonded to eight equivalent Si4- atoms to form GdSi8 hexagonal bipyramids that share corners with sixteen equivalent AgSi4 tetrahedra, edges with four equivalent GdSi8 hexagonal bipyramids, edges with eight equivalent AgSi4 tetrahedra, and faces with four equivalent GdSi8 hexagonal bipyramids. All Gd–Si bond lengths are 3.18 Å. Ag+2.50+ is bonded to four equivalent Si4- atoms to form AgSi4 tetrahedra that share corners with eight equivalent GdSi8 hexagonal bipyramids, corners with four equivalent AgSi4 tetrahedra, edges with four equivalent GdSi8 hexagonal bipyramids, and edges with four equivalent AgSi4 tetrahedra. All Ag–Si bond lengths are 2.60 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Gd3+, four equivalent Ag+2.50+, and one Si4- atom. The Si–Si bond length is 2.31 Å.
DOI: 10.17188/1196599
title: Materials Data on La2InGe2 by Materials Project

description: La2Ge2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to four equivalent In and six equivalent Ge atoms. All La–In bond lengths are 3.61 Å. There are two shorter (3.14 Å) and four longer (3.24 Å) La–Ge bond lengths. In is bonded to eight equivalent La and four equivalent Ge atoms to form a mixture of face and corner-sharing InLa8Ge4 cuboctahedra. All In–Ge bond lengths are 3.09 Å. Ge is bonded in a 9-coordinate geometry to six equivalent La, two equivalent In, and one Ge atom. The Ge–Ge bond length is 2.56 Å.
DOI: 10.17188/1196600
title: Materials Data on TiZn3 by Materials Project

description: TiZn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to twelve equivalent Zn atoms to form TiZn12 cuboctahedra that share corners with twelve equivalent TiZn12 cuboctahedra, edges with twenty-four equivalent ZnTi4Zn8 cuboctahedra, faces with six equivalent TiZn12 cuboctahedra, and faces with twelve equivalent ZnTi4Zn8 cuboctahedra. All Ti–Zn bond lengths are 2.78 Å. Zn is bonded to four equivalent Ti and eight equivalent Zn atoms to form ZnTi4Zn8 cuboctahedra that share corners with twelve equivalent ZnTi4Zn8 cuboctahedra, edges with eight equivalent TiZn12 cuboctahedra, edges with sixteen equivalent ZnTi4Zn8 cuboctahedra, faces with four equivalent TiZn12 cuboctahedra, and faces with fourteen equivalent ZnTi4Zn8 cuboctahedra. All Zn–Zn bond lengths are 2.78 Å.
DOI: 10.17188/1196601
title: Materials Data on NdGe2 by Materials Project

description: NdGe2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Ge atoms to form a mixture of face and edge-sharing NdGe12 cuboctahedra. There are eight shorter (3.28 Å) and four longer (3.36 Å) Nd–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Ge atoms. There are two shorter (2.51 Å) and one longer (2.56 Å) Ge–Ge bond lengths.
DOI: 10.17188/1196602
title: Materials Data on HoInPt by Materials Project

description: HoPtIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Pt and six equivalent In atoms. There are four shorter (3.02 Å) and one longer (3.12 Å) Ho–Pt bond lengths. There are two shorter (3.20 Å) and four longer (3.34 Å) Ho–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 Ho and six equivalent In atoms. All Pt–In bond lengths are 2.78 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Ho 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 Ho and four Pt atoms.
DOI: 10.17188/1196603
title: Materials Data on Tm3InC by Materials Project

description: Tm3InC 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 Tm3In framework. In the Tm3In framework, Tm is bonded in a linear geometry to two equivalent In atoms. Both Tm–In bond lengths are 2.75 Å. In is bonded to six equivalent Tm atoms to form corner-sharing InTm6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196604
title: Materials Data on Li3In2 by Materials Project

description: Li3In2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to three equivalent Li and four equivalent In atoms to form a mixture of distorted corner, edge, and face-sharing LiLi3In4 tetrahedra. All Li–Li bond lengths are 2.93 Å. There are three shorter (2.86 Å) and one longer (2.87 Å) Li–In bond lengths. In the second Li site, Li is bonded in a distorted linear geometry to six equivalent Li and eight equivalent In atoms. There are two shorter (3.08 Å) and six longer (3.30 Å) Li–In bond lengths. In is bonded in a 5-coordinate geometry to eight Li atoms.
DOI: 10.17188/1196605
title: Materials Data on Y2In by Materials Project

description: Y2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to eight Y and six equivalent In atoms. There are two shorter (3.39 Å) and six longer (3.55 Å) Y–Y bond lengths. All Y–In bond lengths are 3.55 Å. In the second Y site, Y is bonded to six equivalent Y and five equivalent In atoms to form a mixture of distorted corner and face-sharing YY6In5 trigonal bipyramids. There are three shorter (3.12 Å) and two longer (3.39 Å) Y–In bond lengths. In is bonded in a 11-coordinate geometry to eleven Y atoms.
DOI: 10.17188/1196606
title: Materials Data on Nd2In by Materials Project

description: Nd2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to eight Nd and six equivalent In atoms. There are two shorter (3.48 Å) and six longer (3.66 Å) Nd–Nd bond lengths. All Nd–In bond lengths are 3.66 Å. In the second Nd site, Nd is bonded to six equivalent Nd and five equivalent In atoms to form a mixture of distorted face and corner-sharing NdNd6In5 trigonal bipyramids. There are three shorter (3.22 Å) and two longer (3.48 Å) Nd–In bond lengths. In is bonded in a 11-coordinate geometry to eleven Nd atoms.
DOI: 10.17188/1196607
title: Materials Data on PtPb4 by Materials Project

description: PtPb4 crystallizes in the tetragonal P4/nbm space group. The structure is two-dimensional and consists of one PtPb4 sheet oriented in the (0, 0, 1) direction. Pt is bonded in a 8-coordinate geometry to eight equivalent Pb atoms. All Pt–Pb bond lengths are 2.95 Å. Pb is bonded in a 2-coordinate geometry to two equivalent Pt atoms.
DOI: 10.17188/1196608
title: Materials Data on LiSn4Ru by Materials Project

description: LiRuSn4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Li is bonded in a distorted q6 geometry to two equivalent Ru and eight equivalent Sn atoms. Both Li–Ru bond lengths are 2.83 Å. All Li–Sn bond lengths are 2.96 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Li and eight equivalent Sn atoms. All Ru–Sn bond lengths are 2.83 Å. Sn is bonded in a 4-coordinate geometry to two equivalent Li and two equivalent Ru atoms.
DOI: 10.17188/1196609
title: Materials Data on NpSi2 by Materials Project

description: NpSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Np is bonded to twelve equivalent Si atoms to form a mixture of face and edge-sharing NpSi12 cuboctahedra. There are eight shorter (3.02 Å) and four longer (3.10 Å) Np–Si bond lengths. Si is bonded in a 9-coordinate geometry to six equivalent Np and three equivalent Si atoms. There are two shorter (2.31 Å) and one longer (2.34 Å) Si–Si bond lengths.
DOI: 10.17188/1196610
title: Materials Data on Cr2CoS4 by Materials Project

description: CoCr2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent S2- atoms to form CrS6 octahedra that share corners with six equivalent CoS4 tetrahedra and edges with six equivalent CrS6 octahedra. All Cr–S bond lengths are 2.39 Å. Co2+ is bonded to four equivalent S2- atoms to form CoS4 tetrahedra that share corners with twelve equivalent CrS6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Co–S bond lengths are 2.22 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr3+ and one Co2+ atom.
DOI: 10.17188/1196611
title: Materials Data on CaPd by Materials Project

description: CaPd is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Ca–Pd bond lengths are 3.06 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
DOI: 10.17188/1196612
title: Materials Data on LuNi2 by Materials Project

description: LuNi2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to twelve equivalent Ni atoms. All Lu–Ni bond lengths are 2.93 Å. Ni is bonded to six equivalent Lu and six equivalent Ni atoms to form a mixture of corner, edge, and face-sharing NiLu6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å.
DOI: 10.17188/1196613
title: Materials Data on Yb5Ge4 by Materials Project

description: Yb5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.97–3.14 Å. In the second Yb site, Yb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.08–3.70 Å. In the third Yb site, Yb is bonded to six Ge atoms to form distorted corner-sharing YbGe6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Yb–Ge bond distances ranging from 2.97–3.32 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Yb and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Yb and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Yb and one Ge atom.
DOI: 10.17188/1196614
title: Materials Data on ScInNi2 by Materials Project

description: ScNi2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Ni and six equivalent In atoms. All Sc–Ni bond lengths are 2.72 Å. All Sc–In bond lengths are 3.14 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent In atoms. All Ni–In bond lengths are 2.72 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Ni atoms.
DOI: 10.17188/1196615
title: Materials Data on GdNi5 by Materials Project

description: GdNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Gd is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are six shorter (2.82 Å) and twelve longer (3.14 Å) Gd–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Gd and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiGd4Ni8 cuboctahedra. There are four shorter (2.42 Å) and four longer (2.44 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Gd and six equivalent Ni atoms.
DOI: 10.17188/1196616
title: Materials Data on TiCoSi by Materials Project

description: TiCoSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti2+ is bonded to five equivalent Si4- atoms to form distorted TiSi5 square pyramids that share corners with eight equivalent TiSi5 square pyramids, corners with eight equivalent CoSi4 tetrahedra, edges with six equivalent TiSi5 square pyramids, and edges with six equivalent CoSi4 tetrahedra. There are two shorter (2.61 Å) and three longer (2.63 Å) Ti–Si bond lengths. Co2+ is bonded to four equivalent Si4- atoms to form distorted CoSi4 tetrahedra that share corners with eight equivalent TiSi5 square pyramids, corners with eight equivalent CoSi4 tetrahedra, edges with six equivalent TiSi5 square pyramids, and edges with two equivalent CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.28–2.34 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ti2+ and four equivalent Co2+ atoms.
DOI: 10.17188/1196617
title: Materials Data on NaEuTiO4 by Materials Project

description: NaEuTiO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.89 Å. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.28–2.72 Å. Ti4+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.76–2.61 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five equivalent Na1+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Eu3+ and one Ti4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+, two equivalent Eu3+, and two equivalent Ti4+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two equivalent Ti4+ atoms.
DOI: 10.17188/1196618
title: Materials Data on TbInPd by Materials Project

description: TbPdIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Pd and six equivalent In atoms. There are four shorter (3.03 Å) and one longer (3.20 Å) Tb–Pd bond lengths. There are two shorter (3.20 Å) and four longer (3.38 Å) Tb–In bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent In atoms. All Pd–In bond lengths are 2.78 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent In atoms. All Pd–In bond lengths are 2.93 Å. In is bonded in a 10-coordinate geometry to six equivalent Tb and four Pd atoms.
DOI: 10.17188/1196732
title: Materials Data on MgTe(PbO3)2 by Materials Project

description: Pb2MgTeO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent TeO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.09 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, faces with four equivalent MgO6 octahedra, and faces with four equivalent TeO6 octahedra. All Pb–O bond lengths are 2.86 Å. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent MgO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Te–O bond lengths are 1.94 Å. O2- is bonded in a linear geometry to one Mg2+, four equivalent Pb2+, and one Te6+ atom.
DOI: 10.17188/1196733
title: Materials Data on SrN6 by Materials Project

description: SrN6 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent N+0.33- atoms. There are four shorter (2.72 Å) and four longer (2.75 Å) Sr–N bond lengths. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a trigonal planar geometry to two equivalent Sr2+ and one N+0.33- atom. The N–N bond length is 1.18 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms.
DOI: 10.17188/1196734
title: Materials Data on TbGeRu by Materials Project

description: TbRuGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 9-coordinate geometry to four equivalent Ru and six equivalent Ge atoms. There are a spread of Tb–Ru bond distances ranging from 2.96–3.01 Å. There are a spread of Tb–Ge bond distances ranging from 3.06–3.29 Å. Ru is bonded in a 8-coordinate geometry to four equivalent Tb and four equivalent Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.54–2.60 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Ru atoms.
DOI: 10.17188/1196735
title: Materials Data on Ca(Ni2B)6 by Materials Project

description: Ca(Ni2B)6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Ca–B bond lengths are 3.15 Å. There are two inequivalent Ni+1.33+ sites. In the first Ni+1.33+ site, Ni+1.33+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing NiB4 tetrahedra. There are two shorter (2.04 Å) and two longer (2.09 Å) Ni–B bond lengths. In the second Ni+1.33+ site, Ni+1.33+ is bonded in a T-shaped geometry to three equivalent B3- atoms. There are two shorter (2.07 Å) and one longer (2.08 Å) Ni–B bond lengths. B3- is bonded in a 7-coordinate geometry to one Ca2+ and seven Ni+1.33+ atoms.