cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1198974
title: Materials Data on InNi3 by Materials Project

description: Ni3In is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded to eight equivalent Ni and four equivalent In atoms to form NiIn4Ni8 cuboctahedra that share corners with twelve equivalent NiIn4Ni8 cuboctahedra, edges with eight equivalent InNi12 cuboctahedra, edges with sixteen equivalent NiIn4Ni8 cuboctahedra, faces with four equivalent InNi12 cuboctahedra, and faces with fourteen equivalent NiIn4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.64 Å. All Ni–In bond lengths are 2.64 Å. In is bonded to twelve equivalent Ni atoms to form InNi12 cuboctahedra that share corners with twelve equivalent InNi12 cuboctahedra, edges with twenty-four equivalent NiIn4Ni8 cuboctahedra, faces with six equivalent InNi12 cuboctahedra, and faces with twelve equivalent NiIn4Ni8 cuboctahedra.
DOI: 10.17188/1198975
title: Materials Data on SmMnB4 by Materials Project

description: SmMnB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Sm–B bond distances ranging from 2.64–2.76 Å. Mn3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Mn–B bond distances ranging from 2.27–2.31 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 Sm3+, two equivalent Mn3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.74–1.90 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Sm3+, four equivalent Mn3+, and three B+1.50- atoms. There is one shorter (1.70 Å) and one longer (1.74 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 Sm3+, two equivalent Mn3+, and three B+1.50- atoms. The B–B bond length is 1.80 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Sm3+, two equivalent Mn3+, and three B+1.50- atoms. The B–B bond length is 1.84 Å.
DOI: 10.17188/1198976
title: Materials Data on ThNiSn by Materials Project

description: ThNiSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Sn atoms. All Th–Ni bond lengths are 2.85 Å. All Th–Sn bond lengths are 3.29 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.85 Å. Sn is bonded in a distorted q6 geometry to six equivalent Th and four equivalent Ni atoms.
DOI: 10.17188/1198977
title: Materials Data on Fe2Si by Materials Project

description: Fe2Si crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to three equivalent Fe2+ and five equivalent Si4- atoms. All Fe–Fe bond lengths are 2.43 Å. There are a spread of Fe–Si bond distances ranging from 2.37–2.43 Å. In the second Fe2+ site, Fe2+ is bonded in a 8-coordinate geometry to eight Fe2+ and six equivalent Si4- atoms. Both Fe–Fe bond lengths are 2.42 Å. All Fe–Si bond lengths are 2.74 Å. In the third Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to two equivalent Fe2+ and six equivalent Si4- atoms. All Fe–Si bond lengths are 2.43 Å. Si4- is bonded in a distorted body-centered cubic geometry to eleven Fe2+ atoms.
DOI: 10.17188/1198978
title: Materials Data on Eu(PRu)2 by Materials Project

description: Eu(RuP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Eu–P bond lengths are 3.26 Å. Ru2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing RuP4 tetrahedra. All Ru–P bond lengths are 2.33 Å. P3- is bonded in a 8-coordinate geometry to four equivalent Eu2+ and four equivalent Ru2+ atoms.
DOI: 10.17188/1198979
title: Materials Data on PuSn3 by Materials Project

description: PuSn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu is bonded to twelve equivalent Sn atoms to form PuSn12 cuboctahedra that share corners with twelve equivalent PuSn12 cuboctahedra, edges with twenty-four equivalent SnPu4Sn8 cuboctahedra, faces with six equivalent PuSn12 cuboctahedra, and faces with twelve equivalent SnPu4Sn8 cuboctahedra. All Pu–Sn bond lengths are 3.24 Å. Sn is bonded to four equivalent Pu and eight equivalent Sn atoms to form distorted SnPu4Sn8 cuboctahedra that share corners with twelve equivalent SnPu4Sn8 cuboctahedra, edges with eight equivalent PuSn12 cuboctahedra, edges with sixteen equivalent SnPu4Sn8 cuboctahedra, faces with four equivalent PuSn12 cuboctahedra, and faces with fourteen equivalent SnPu4Sn8 cuboctahedra. All Sn–Sn bond lengths are 3.24 Å.
DOI: 10.17188/1198980
title: Materials Data on VGaCo2 by Materials Project

description: Co2VGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All V–Co bond lengths are 2.49 Å. Co is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Ga atoms. All Co–Ga bond lengths are 2.49 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Co atoms.
DOI: 10.17188/1198981
title: Materials Data on TlInTe2 by Materials Project

description: TlInTe2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tl1+ is bonded in a 10-coordinate geometry to two equivalent Tl1+ and eight equivalent Te2- atoms. Both Tl–Tl bond lengths are 3.67 Å. All Tl–Te bond lengths are 3.68 Å. In3+ is bonded to four equivalent Te2- atoms to form edge-sharing InTe4 tetrahedra. All In–Te bond lengths are 2.87 Å. Te2- is bonded in a 6-coordinate geometry to four equivalent Tl1+ and two equivalent In3+ atoms.
DOI: 10.17188/1198982
title: Materials Data on MnTePd by Materials Project

description: PdMnTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded to four equivalent Pd and six equivalent Te atoms to form a mixture of distorted corner and face-sharing MnTe6Pd4 tetrahedra. All Mn–Pd bond lengths are 2.75 Å. All Mn–Te bond lengths are 3.17 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Te atoms. All Pd–Te bond lengths are 2.75 Å. Te is bonded in a 10-coordinate geometry to six equivalent Mn and four equivalent Pd atoms.
DOI: 10.17188/1198983
title: Materials Data on AlFe3C by Materials Project

description: Fe3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Fe–Al bond lengths are 2.66 Å. Both Fe–C bond lengths are 1.88 Å. Al is bonded to twelve equivalent Fe atoms to form AlFe12 cuboctahedra that share corners with twelve equivalent AlFe12 cuboctahedra, faces with six equivalent AlFe12 cuboctahedra, and faces with eight equivalent CFe6 octahedra. C is bonded to six equivalent Fe atoms to form CFe6 octahedra that share corners with six equivalent CFe6 octahedra and faces with eight equivalent AlFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1198984
title: Materials Data on TmGeRh by Materials Project

description: TmRhGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent Ge atoms. There are a spread of Tm–Rh bond distances ranging from 2.99–3.31 Å. There are a spread of Tm–Ge bond distances ranging from 2.98–3.00 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.54–2.62 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Tm and four equivalent Rh atoms.
DOI: 10.17188/1198985
title: Materials Data on Pb2Au by Materials Project

description: AuPb2 is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Au is bonded in a 10-coordinate geometry to two equivalent Au and eight equivalent Pb atoms. Both Au–Au bond lengths are 2.97 Å. All Au–Pb bond lengths are 3.15 Å. Pb is bonded in a 7-coordinate geometry to four equivalent Au and three equivalent Pb atoms. There are one shorter (3.34 Å) and two longer (3.52 Å) Pb–Pb bond lengths.
DOI: 10.17188/1198986
title: Materials Data on EuPt2 by Materials Project

description: EuPt2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to twelve equivalent Pt atoms. All Eu–Pt bond lengths are 3.25 Å. Pt is bonded to six equivalent Eu and six equivalent Pt atoms to form a mixture of edge, face, and corner-sharing PtEu6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.77 Å.
DOI: 10.17188/1198988
title: Materials Data on Te2Rh by Materials Project

description: RhTe2 is Calaverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one RhTe2 sheet oriented in the (0, 0, 1) direction. Rh4+ is bonded to six equivalent Te2- atoms to form edge-sharing RhTe6 octahedra. All Rh–Te bond lengths are 2.67 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Rh4+ atoms.
DOI: 10.17188/1198989
title: Materials Data on CuSe2 by Materials Project

description: CuSe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cu3+ is bonded to six equivalent Se+1.50- atoms to form CuSe6 octahedra that share corners with twelve equivalent CuSe6 octahedra and corners with six equivalent SeCu3Se tetrahedra. The corner-sharing octahedral tilt angles are 65°. All Cu–Se bond lengths are 2.58 Å. Se+1.50- is bonded to three equivalent Cu3+ and one Se+1.50- atom to form distorted SeCu3Se tetrahedra that share corners with three equivalent CuSe6 octahedra and corners with fifteen equivalent SeCu3Se tetrahedra. The corner-sharing octahedral tilt angles are 77°. The Se–Se bond length is 2.38 Å.
DOI: 10.17188/1198990
title: Materials Data on LuSiRh by Materials Project

description: LuRhSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent Si atoms. There are a spread of Lu–Rh bond distances ranging from 2.95–3.24 Å. There are a spread of Lu–Si bond distances ranging from 2.92–2.95 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Lu and four equivalent Si atoms. There are three shorter (2.48 Å) and one longer (2.57 Å) Rh–Si bond lengths. Si is bonded in a 9-coordinate geometry to five equivalent Lu and four equivalent Rh atoms.
DOI: 10.17188/1198991
title: Materials Data on Cr2CuS4 by Materials Project

description: CuCr2S4 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 CuS4 tetrahedra and edges with six equivalent CrS6 octahedra. All Cr–S bond lengths are 2.39 Å. Cu2+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with twelve equivalent CrS6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Cu–S bond lengths are 2.27 Å. S2- is bonded to three equivalent Cr3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing SCr3Cu trigonal pyramids.
DOI: 10.17188/1198992
title: Materials Data on Na3In2(AsO4)3 by Materials Project

description: Na3In2(AsO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.62 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.43–2.47 Å. In the third Na1+ site, Na1+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.53–3.11 Å. In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six AsO4 tetrahedra and an edgeedge with one InO6 octahedra. There are a spread of In–O bond distances ranging from 2.13–2.29 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 43–59°. There are a spread of As–O bond distances ranging from 1.68–1.75 Å. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 54–55°. There is two shorter (1.72 Å) and two longer (1.73 Å) As–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+, one In3+, and one As5+ atom to form a mixture of distorted corner and edge-sharing ONa2InAs trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one In3+, and one As5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+, one In3+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Na1+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent In3+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to one Na1+, one In3+, and one As5+ atom.
DOI: 10.17188/1198993
title: Materials Data on Dy3(AgSn)4 by Materials Project

description: Dy3Ag4Sn4 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 to eight equivalent Ag and six Sn atoms to form distorted face-sharing DyAg8Sn6 octahedra. All Dy–Ag bond lengths are 3.78 Å. There are four shorter (3.21 Å) and two longer (3.31 Å) Dy–Sn bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to six equivalent Ag and six Sn atoms. There are four shorter (3.27 Å) and two longer (3.42 Å) Dy–Ag bond lengths. There are two shorter (3.32 Å) and four longer (3.34 Å) Dy–Sn bond lengths. Ag is bonded in a 12-coordinate geometry to five Dy, three equivalent Ag, and four Sn atoms. There are one shorter (2.93 Å) and two longer (3.42 Å) Ag–Ag bond lengths. There are a spread of Ag–Sn bond distances ranging from 2.74–2.83 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Dy and six equivalent Ag atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Dy, two equivalent Ag, and one Sn atom. The Sn–Sn bond length is 2.91 Å.
DOI: 10.17188/1198994
title: Materials Data on KCeSiS4 by Materials Project

description: KCeSiS4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.32–3.59 Å. Ce3+ is bonded to seven S2- atoms to form distorted CeS7 pentagonal bipyramids that share corners with two equivalent CeS7 pentagonal bipyramids, a cornercorner with one SiS4 tetrahedra, edges with two equivalent CeS7 pentagonal bipyramids, and edges with three equivalent SiS4 tetrahedra. There are a spread of Ce–S bond distances ranging from 2.87–3.09 Å. Si4+ is bonded to four S2- atoms to form SiS4 tetrahedra that share a cornercorner with one CeS7 pentagonal bipyramid and edges with three equivalent CeS7 pentagonal bipyramids. There are one shorter (2.11 Å) and three longer (2.14 Å) Si–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted see-saw-like geometry to one K1+, two equivalent Ce3+, and one Si4+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent K1+, one Ce3+, and one Si4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent K1+, two equivalent Ce3+, and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent Ce3+, and one Si4+ atom.
DOI: 10.17188/1198995
title: Materials Data on SmSb by Materials Project

description: SmSb is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm3+ is bonded to six equivalent Sb3- atoms to form a mixture of edge and corner-sharing SmSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–Sb bond lengths are 3.16 Å. Sb3- is bonded to six equivalent Sm3+ atoms to form a mixture of edge and corner-sharing SbSm6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1198996
title: Materials Data on Ce2MgCu2 by Materials Project

description: Ce2Cu2Mg crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded to eight equivalent Ce and four equivalent Cu atoms to form a mixture of distorted corner and face-sharing MgCe8Cu4 cuboctahedra. All Mg–Ce bond lengths are 3.42 Å. All Mg–Cu bond lengths are 3.07 Å. Ce is bonded in a 6-coordinate geometry to four equivalent Mg and six equivalent Cu atoms. There are two shorter (2.92 Å) and four longer (2.98 Å) Ce–Cu bond lengths. Cu is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent Ce, and one Cu atom. The Cu–Cu bond length is 2.65 Å.
DOI: 10.17188/1198997
title: Materials Data on InCuSe2 by Materials Project

description: CuInSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with eight equivalent InSe4 tetrahedra. All Cu–Se bond lengths are 2.45 Å. In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent InSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All In–Se bond lengths are 2.66 Å. Se2- is bonded to two equivalent Cu1+ and two equivalent In3+ atoms to form corner-sharing SeIn2Cu2 tetrahedra.
DOI: 10.17188/1198998
title: Materials Data on In2Ir by Materials Project

description: IrIn2 is Khatyrkite-like structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ir is bonded in a 10-coordinate geometry to eight In atoms. There are a spread of Ir–In bond distances ranging from 2.73–2.90 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to four equivalent Ir atoms. In the second In site, In is bonded in a 4-coordinate geometry to four equivalent Ir atoms.
DOI: 10.17188/1198999
title: Materials Data on U2Ni2Sn by Materials Project

description: U2Ni2Sn crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are two shorter (2.82 Å) and four longer (2.85 Å) U–Ni bond lengths. All U–Sn bond lengths are 3.28 Å. Ni is bonded in a 9-coordinate geometry to six equivalent U, one Ni, and two equivalent Sn atoms. The Ni–Ni bond length is 2.65 Å. Both Ni–Sn bond lengths are 2.77 Å. Sn is bonded to eight equivalent U and four equivalent Ni atoms to form a mixture of corner and face-sharing SnU8Ni4 cuboctahedra.
DOI: 10.17188/1199000
title: Materials Data on U2Ti3Si4 by Materials Project

description: U2Ti3Si4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U3+ is bonded in a 8-coordinate geometry to one U3+ and seven Si4- atoms. The U–U bond length is 2.65 Å. There are a spread of U–Si bond distances ranging from 2.75–3.01 Å. There are two inequivalent Ti+3.33+ sites. In the first Ti+3.33+ site, Ti+3.33+ is bonded to six Si4- atoms to form a mixture of distorted corner, edge, and face-sharing TiSi6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 33–44°. There are a spread of Ti–Si bond distances ranging from 2.56–2.71 Å. In the second Ti+3.33+ site, Ti+3.33+ is bonded to six Si4- atoms to form a mixture of corner and face-sharing TiSi6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four shorter (2.67 Å) and two longer (2.74 Å) Ti–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent U3+, five Ti+3.33+, and one Si4- atom. The Si–Si bond length is 2.61 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent U3+, four Ti+3.33+, and one Si4- atom. The Si–Si bond length is 2.40 Å.
DOI: 10.17188/1199001
title: Materials Data on TbGeRh by Materials Project

description: TbRhGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 9-coordinate geometry to six equivalent Rh and five equivalent Ge atoms. There are a spread of Tb–Rh bond distances ranging from 3.01–3.37 Å. There are a spread of Tb–Ge bond distances ranging from 3.02–3.04 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.56–2.65 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Rh atoms.
DOI: 10.17188/1199002
title: Materials Data on TaTe4 by Materials Project

description: TaTe4 crystallizes in the tetragonal P4/mcc space group. The structure is one-dimensional and consists of one TaTe4 ribbon oriented in the (0, 0, 1) direction. Ta5+ is bonded in a 8-coordinate geometry to eight equivalent Te+1.25- atoms. All Ta–Te bond lengths are 2.90 Å. Te+1.25- is bonded in a 2-coordinate geometry to two equivalent Ta5+ atoms.