cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1195841
title: Materials Data on Cu3Se2 by Materials Project

description: Cu3Se2 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. there are two inequivalent Cu+1.33+ sites. In the first Cu+1.33+ site, Cu+1.33+ 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 2.54 Å. In the second Cu+1.33+ site, Cu+1.33+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.43–2.48 Å. Se2- is bonded in a 6-coordinate geometry to six Cu+1.33+ atoms.
DOI: 10.17188/1195842
title: Materials Data on Pr3AlN by Materials Project

description: (Pr3Al)2N2 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Pr3Al framework. In the Pr3Al framework, Pr is bonded in a linear geometry to two equivalent Al atoms. Both Pr–Al bond lengths are 2.79 Å. Al is bonded to six equivalent Pr atoms to form corner-sharing AlPr6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195843
title: Materials Data on Cr3Ge by Materials Project

description: Cr3Ge crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Cr is bonded in a 6-coordinate geometry to two equivalent Cr and four equivalent Ge atoms. Both Cr–Cr bond lengths are 2.29 Å. All Cr–Ge bond lengths are 2.56 Å. Ge is bonded to twelve equivalent Cr atoms to form a mixture of face and edge-sharing GeCr12 cuboctahedra.
DOI: 10.17188/1195844
title: Materials Data on Ho2In by Materials Project

description: Ho2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to six equivalent Ho and five equivalent In atoms to form a mixture of distorted face and corner-sharing HoHo6In5 trigonal bipyramids. All Ho–Ho bond lengths are 3.52 Å. There are three shorter (3.10 Å) and two longer (3.35 Å) Ho–In bond lengths. In the second Ho site, Ho is bonded in a 6-coordinate geometry to eight Ho and six equivalent In atoms. Both Ho–Ho bond lengths are 3.35 Å. All Ho–In bond lengths are 3.52 Å. In is bonded in a 11-coordinate geometry to eleven Ho atoms.
DOI: 10.17188/1195845
title: Materials Data on Sr2LuRuO6 by Materials Project

description: Sr2LuRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.91 Å. Lu3+ is bonded to six O2- atoms to form LuO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 21–22°. All Lu–O bond lengths are 2.18 Å. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent LuO6 octahedra. The corner-sharing octahedra tilt angles range from 21–22°. All Ru–O bond lengths are 1.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Lu3+, and one Ru5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Lu3+, and one Ru5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Lu3+, and one Ru5+ atom.
DOI: 10.17188/1195846
title: Materials Data on Nb3B2 by Materials Project

description: Nb3B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Nb2+ sites. In the first Nb2+ site, Nb2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Nb–B bond lengths are 2.55 Å. In the second Nb2+ site, Nb2+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. There are four shorter (2.47 Å) and two longer (2.52 Å) Nb–B bond lengths. B3- is bonded in a 9-coordinate geometry to eight Nb2+ and one B3- atom. The B–B bond length is 1.86 Å.
DOI: 10.17188/1195847
title: Materials Data on NdFeSi by Materials Project

description: NdFeSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd2+ is bonded in a 9-coordinate geometry to four equivalent Fe2+ and five equivalent Si4- atoms. All Nd–Fe bond lengths are 2.99 Å. There are four shorter (3.06 Å) and one longer (3.67 Å) Nd–Si bond lengths. Fe2+ is bonded in a 8-coordinate geometry to four equivalent Nd2+ and four equivalent Si4- atoms. All Fe–Si bond lengths are 2.33 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Nd2+ and four equivalent Fe2+ atoms.
DOI: 10.17188/1195848
title: Materials Data on MnGeN2 by Materials Project

description: MnGeN2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Mn2+ is bonded to four N3- atoms to form MnN4 tetrahedra that share corners with four equivalent MnN4 tetrahedra and corners with eight equivalent GeN4 tetrahedra. There are a spread of Mn–N bond distances ranging from 2.12–2.14 Å. Ge4+ is bonded to four N3- atoms to form GeN4 tetrahedra that share corners with four equivalent GeN4 tetrahedra and corners with eight equivalent MnN4 tetrahedra. There are a spread of Ge–N bond distances ranging from 1.88–1.90 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Mn2+ and two equivalent Ge4+ atoms to form corner-sharing NMn2Ge2 tetrahedra. In the second N3- site, N3- is bonded to two equivalent Mn2+ and two equivalent Ge4+ atoms to form corner-sharing NMn2Ge2 tetrahedra.
DOI: 10.17188/1195849
title: Materials Data on K2Pb2O3 by Materials Project

description: K2Pb2O3 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.86 Å) and three longer (3.02 Å) K–O bond lengths. Pb2+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Pb–O bond lengths are 2.22 Å. O2- is bonded to four equivalent K1+ and two equivalent Pb2+ atoms to form a mixture of distorted face, edge, and corner-sharing OK4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 45–64°.
DOI: 10.17188/1195850
title: Materials Data on Zr3In by Materials Project

description: Zr3In is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded to eight equivalent Zr and four equivalent In atoms to form distorted ZrZr8In4 cuboctahedra that share corners with twelve equivalent ZrZr8In4 cuboctahedra, edges with eight equivalent InZr12 cuboctahedra, edges with sixteen equivalent ZrZr8In4 cuboctahedra, faces with four equivalent InZr12 cuboctahedra, and faces with fourteen equivalent ZrZr8In4 cuboctahedra. All Zr–Zr bond lengths are 3.17 Å. All Zr–In bond lengths are 3.17 Å. In is bonded to twelve equivalent Zr atoms to form InZr12 cuboctahedra that share corners with twelve equivalent InZr12 cuboctahedra, edges with twenty-four equivalent ZrZr8In4 cuboctahedra, faces with six equivalent InZr12 cuboctahedra, and faces with twelve equivalent ZrZr8In4 cuboctahedra.
DOI: 10.17188/1195851
title: Materials Data on Fe3W3C by Materials Project

description: Fe3W3C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. W is bonded in a 8-coordinate geometry to six Fe and two equivalent C atoms. There are two shorter (2.71 Å) and four longer (2.73 Å) W–Fe bond lengths. Both W–C bond lengths are 2.14 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted q6 geometry to six equivalent W and six Fe atoms. There are three shorter (2.36 Å) and three longer (2.42 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded to six equivalent W and six equivalent Fe atoms to form FeFe6W6 cuboctahedra that share edges with six equivalent CW6 octahedra and faces with six equivalent FeFe6W6 cuboctahedra. C is bonded to six equivalent W atoms to form CW6 octahedra that share corners with six equivalent CW6 octahedra and edges with six equivalent FeFe6W6 cuboctahedra. The corner-sharing octahedral tilt angles are 48°.
DOI: 10.17188/1195852
title: Materials Data on ZrNiSb by Materials Project

description: ZrNiSb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr2+ is bonded in a 5-coordinate geometry to five equivalent Sb3- atoms. There are a spread of Zr–Sb bond distances ranging from 2.95–3.00 Å. Ni1+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing NiSb4 trigonal pyramids. There are a spread of Ni–Sb bond distances ranging from 2.52–2.63 Å. Sb3- is bonded in a 9-coordinate geometry to five equivalent Zr2+ and four equivalent Ni1+ atoms.
DOI: 10.17188/1195853
title: Materials Data on LiCoAs by Materials Project

description: LiCoAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to five equivalent As3- atoms to form distorted LiAs5 square pyramids that share corners with four equivalent LiAs5 square pyramids, corners with twelve equivalent CoAs4 tetrahedra, edges with eight equivalent LiAs5 square pyramids, and edges with four equivalent CoAs4 tetrahedra. There are one shorter (2.70 Å) and four longer (2.73 Å) Li–As bond lengths. Co2+ is bonded to four equivalent As3- atoms to form CoAs4 tetrahedra that share corners with twelve equivalent LiAs5 square pyramids, corners with four equivalent CoAs4 tetrahedra, edges with four equivalent LiAs5 square pyramids, and edges with four equivalent CoAs4 tetrahedra. All Co–As bond lengths are 2.35 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Li1+ and four equivalent Co2+ atoms.
DOI: 10.17188/1195854
title: Materials Data on CoS2 by Materials Project

description: CoS2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Co4+ is bonded to six equivalent S2- atoms to form CoS6 octahedra that share corners with twelve equivalent CoS6 octahedra and corners with six equivalent SCo3S tetrahedra. The corner-sharing octahedral tilt angles are 65°. All Co–S bond lengths are 2.31 Å. S2- is bonded to three equivalent Co4+ and one S2- atom to form distorted SCo3S tetrahedra that share corners with three equivalent CoS6 octahedra and corners with fifteen equivalent SCo3S tetrahedra. The corner-sharing octahedral tilt angles are 77°. The S–S bond length is 2.14 Å.
DOI: 10.17188/1195855
title: Materials Data on Gd(SiIr)2 by Materials Project

description: Gd(IrSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Si atoms. All Gd–Ir bond lengths are 3.24 Å. All Gd–Si bond lengths are 3.15 Å. Ir is bonded to four equivalent Gd and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing IrGd4Si4 tetrahedra. All Ir–Si bond lengths are 2.42 Å. Si is bonded in a 9-coordinate geometry to four equivalent Gd, four equivalent Ir, and one Si atom. The Si–Si bond length is 2.46 Å.
DOI: 10.17188/1195864
title: Materials Data on Dy3Co6Sn5 by Materials Project

description: Dy3Co6Sn5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to six Co and eight Sn atoms. There are two shorter (2.93 Å) and four longer (3.21 Å) Dy–Co bond lengths. There are a spread of Dy–Sn bond distances ranging from 3.12–3.28 Å. In the second Dy site, Dy is bonded to four equivalent Co and eight equivalent Sn atoms to form distorted DyCo4Sn8 cuboctahedra that share edges with two equivalent SnDy4Co8 cuboctahedra and faces with two equivalent DyCo4Sn8 cuboctahedra. All Dy–Co bond lengths are 2.94 Å. All Dy–Sn bond lengths are 3.43 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to three Dy, three Co, and four Sn atoms. There are two shorter (2.55 Å) and one longer (2.65 Å) Co–Co bond lengths. There are a spread of Co–Sn bond distances ranging from 2.55–2.74 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to two equivalent Dy, four equivalent Co, and four Sn atoms. There are two shorter (2.59 Å) and two longer (2.86 Å) Co–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to five Dy, four Co, and one Sn atom. The Sn–Sn bond length is 3.06 Å. In the second Sn site, Sn is bonded to four equivalent Dy and eight Co atoms to form SnDy4Co8 cuboctahedra that share edges with two equivalent DyCo4Sn8 cuboctahedra and faces with two equivalent SnDy4Co8 cuboctahedra.
DOI: 10.17188/1195865
title: Materials Data on U(MnAl2)4 by Materials Project

description: UMn4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eight equivalent Mn and twelve Al atoms. All U–Mn bond lengths are 3.36 Å. There are four shorter (2.99 Å) and eight longer (3.20 Å) U–Al bond lengths. Mn is bonded in a 12-coordinate geometry to two equivalent U, two equivalent Mn, and eight Al atoms. Both Mn–Mn bond lengths are 2.56 Å. There are four shorter (2.55 Å) and four longer (2.66 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one U, four equivalent Mn, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.77–2.83 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Mn, and six Al atoms. Both Al–Al bond lengths are 2.72 Å.
DOI: 10.17188/1195866
title: Materials Data on U2SnRu2 by Materials Project

description: U2Ru2Sn crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to six equivalent Ru and four equivalent Sn atoms. There are two shorter (2.74 Å) and four longer (2.90 Å) U–Ru bond lengths. All U–Sn bond lengths are 3.33 Å. Ru is bonded in a 6-coordinate geometry to six equivalent U and two equivalent Sn atoms. Both Ru–Sn bond lengths are 2.93 Å. Sn is bonded to eight equivalent U and four equivalent Ru atoms to form a mixture of distorted face and corner-sharing SnU8Ru4 cuboctahedra.
DOI: 10.17188/1195867
title: Materials Data on EuPPd by Materials Project

description: EuPdP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu is bonded to six equivalent Pd and six equivalent P atoms to form a mixture of edge and face-sharing EuP6Pd6 cuboctahedra. All Eu–Pd bond lengths are 3.19 Å. All Eu–P bond lengths are 3.19 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent P atoms. All Pd–P bond lengths are 2.40 Å. P is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Pd atoms.
DOI: 10.17188/1195868
title: Materials Data on Gd(CuO2)2 by Materials Project

description: Gd(CuO2)2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.42 Å) and four longer (2.43 Å) Gd–O bond lengths. Cu+2.50+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There is two shorter (1.90 Å) and two longer (1.92 Å) Cu–O bond length. O2- is bonded to two equivalent Gd3+ and two equivalent Cu+2.50+ atoms to form a mixture of distorted corner and edge-sharing OGd2Cu2 tetrahedra.
DOI: 10.17188/1195869
title: Materials Data on In2Ni3S2 by Materials Project

description: Ni3In2S2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ni is bonded in a distorted linear geometry to four In and two equivalent S atoms. There are two shorter (2.72 Å) and two longer (2.76 Å) Ni–In bond lengths. Both Ni–S bond lengths are 2.17 Å. There are two inequivalent In sites. In the first In site, In is bonded to six equivalent Ni atoms to form distorted InNi6 cuboctahedra that share corners with six equivalent InNi6 cuboctahedra and edges with six equivalent InNi6S2 hexagonal bipyramids. In the second In site, In is bonded to six equivalent Ni and two equivalent S atoms to form InNi6S2 hexagonal bipyramids that share corners with six equivalent InNi6S2 hexagonal bipyramids and edges with six equivalent InNi6 cuboctahedra. Both In–S bond lengths are 3.04 Å. S is bonded in a 4-coordinate geometry to three equivalent Ni and one In atom.
DOI: 10.17188/1195870
title: Materials Data on Ba2ScSbO6 by Materials Project

description: Sc(BaO3)2Sb is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four antimony molecules, four scandium molecules, and one BaO3 framework. In the BaO3 framework, Ba2+ is bonded to six equivalent O2- atoms to form corner-sharing BaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–O bond lengths are 2.36 Å. O2- is bonded in a linear geometry to two equivalent Ba2+ atoms.
DOI: 10.17188/1195871
title: Materials Data on Zn3P2 by Materials Project

description: Zn3P2 is Hausmannite-like structured and crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four P3- atoms to form a mixture of distorted corner and edge-sharing ZnP4 tetrahedra. There are a spread of Zn–P bond distances ranging from 2.38–2.80 Å. In the second Zn2+ site, Zn2+ is bonded to four P3- atoms to form a mixture of distorted corner and edge-sharing ZnP4 tetrahedra. There are a spread of Zn–P bond distances ranging from 2.38–2.80 Å. In the third Zn2+ site, Zn2+ is bonded to four P3- atoms to form a mixture of corner and edge-sharing ZnP4 tetrahedra. There are two shorter (2.34 Å) and two longer (2.62 Å) Zn–P bond lengths. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 6-coordinate geometry to six Zn2+ atoms. In the second P3- site, P3- is bonded in a 6-coordinate geometry to six Zn2+ atoms. In the third P3- site, P3- is bonded in a 6-coordinate geometry to six Zn2+ atoms.
DOI: 10.17188/1195872
title: Materials Data on CeSiNi by Materials Project

description: CeNiSi crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Ce3+ is bonded to six equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing CeSi6 pentagonal pyramids. There are four shorter (3.06 Å) and two longer (3.10 Å) Ce–Si bond lengths. Ni1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. There are two shorter (2.32 Å) and one longer (2.35 Å) Ni–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to six equivalent Ce3+ and three equivalent Ni1+ atoms.
DOI: 10.17188/1195873
title: Materials Data on Fe3Ge by Materials Project

description: Fe3Ge is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to eight equivalent Fe and six equivalent Ge atoms. All Fe–Fe bond lengths are 2.49 Å. All Fe–Ge bond lengths are 2.87 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Fe and four equivalent Ge atoms. All Fe–Ge bond lengths are 2.49 Å. Ge is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms.
DOI: 10.17188/1195874
title: Materials Data on EuGe by Materials Project

description: EuGe crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 7-coordinate geometry to seven equivalent Ge atoms. There are a spread of Eu–Ge bond distances ranging from 3.20–3.33 Å. Ge is bonded in a 9-coordinate geometry to seven equivalent Eu and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.63 Å.
DOI: 10.17188/1195875
title: Materials Data on PuSi by Materials Project

description: PuSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pu4+ is bonded in a 7-coordinate geometry to seven equivalent Si4- atoms. There are a spread of Pu–Si bond distances ranging from 2.82–3.08 Å. Si4- is bonded in a 9-coordinate geometry to seven equivalent Pu4+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.37 Å.
DOI: 10.17188/1195876
title: Materials Data on FeSb2 by Materials Project

description: FeSb2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent Sb+1.50- atoms to form a mixture of edge and corner-sharing FeSb6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Fe–Sb bond lengths are 2.58 Å. Sb+1.50- is bonded in a 4-coordinate geometry to three equivalent Fe3+ atoms.
DOI: 10.17188/1195877
title: Materials Data on Pr2InGe2 by Materials Project

description: Pr2Ge2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to four equivalent In and six equivalent Ge atoms. All Pr–In bond lengths are 3.56 Å. There are two shorter (3.09 Å) and four longer (3.20 Å) Pr–Ge bond lengths. In is bonded to eight equivalent Pr and four equivalent Ge atoms to form a mixture of corner and face-sharing InPr8Ge4 cuboctahedra. All In–Ge bond lengths are 3.04 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Pr, two equivalent In, and one Ge atom. The Ge–Ge bond length is 2.55 Å.
DOI: 10.17188/1195878
title: Materials Data on PbSeO3 by Materials Project

description: PbSeO3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.54–3.13 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.71 Å) and two longer (1.75 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Pb2+ and one Se4+ atom.
DOI: 10.17188/1195879
title: Materials Data on CrAs by Materials Project

description: CrAs is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent As3- atoms to form a mixture of face, edge, and corner-sharing CrAs6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Cr–As bond distances ranging from 2.48–2.59 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Cr3+ atoms.
DOI: 10.17188/1195880
title: Materials Data on EuHg2 by Materials Project

description: EuHg2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Eu is bonded to twelve equivalent Hg atoms to form a mixture of edge and face-sharing EuHg12 cuboctahedra. All Eu–Hg bond lengths are 3.49 Å. Hg is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Hg atoms. All Hg–Hg bond lengths are 2.95 Å.
DOI: 10.17188/1195881
title: Materials Data on KTe by Materials Project

description: KTe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six equivalent Te1- atoms to form edge-sharing KTe6 octahedra. All K–Te bond lengths are 3.68 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent Te1- atoms. All K–Te bond lengths are 3.56 Å. Te1- is bonded in a 7-coordinate geometry to six K1+ and one Te1- atom. The Te–Te bond length is 2.84 Å.