cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1752227
title: Materials Data on Nb6PbS8 by Materials Project

description: Nb6PbS8 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Nb+2.33+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing NbS6 octahedra. The corner-sharing octahedra tilt angles range from 44–54°. There are a spread of Nb–S bond distances ranging from 2.48–2.69 Å. Pb2+ is bonded in a distorted hexagonal planar geometry to six equivalent S2- atoms. All Pb–S bond lengths are 3.19 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Nb+2.33+ and one Pb2+ atom. In the second S2- site, S2- is bonded to six equivalent Nb+2.33+ atoms to form distorted face-sharing SNb6 pentagonal pyramids.
DOI: 10.17188/1752228
title: Materials Data on Tb5RhBr9 by Materials Project

description: Tb5RhBr9 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are five inequivalent Tb sites. In the first Tb site, Tb is bonded to one Rh and five Br atoms to form distorted TbRhBr5 octahedra that share corners with three TbRh3Br3 octahedra and edges with six TbRhBr5 octahedra. The corner-sharing octahedra tilt angles range from 4–9°. The Tb–Rh bond length is 2.73 Å. There are a spread of Tb–Br bond distances ranging from 2.87–3.22 Å. In the second Tb site, Tb is bonded to six Br atoms to form a mixture of corner and edge-sharing TbBr6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Tb–Br bond distances ranging from 2.75–2.93 Å. In the third Tb site, Tb is bonded to one Rh and five Br atoms to form TbRhBr5 octahedra that share corners with three TbRh3Br3 octahedra and edges with six TbRhBr5 octahedra. The corner-sharing octahedra tilt angles range from 4–11°. The Tb–Rh bond length is 2.74 Å. There are a spread of Tb–Br bond distances ranging from 2.87–3.21 Å. In the fourth Tb site, Tb is bonded to one Rh and five Br atoms to form TbRhBr5 octahedra that share corners with two TbRh3Br3 octahedra and edges with six TbRhBr5 octahedra. The corner-sharing octahedra tilt angles range from 5–9°. The Tb–Rh bond length is 2.75 Å. There are a spread of Tb–Br bond distances ranging from 2.92–3.01 Å. In the fifth Tb site, Tb is bonded to three equivalent Rh and three Br atoms to form a mixture of corner and edge-sharing TbRh3Br3 octahedra. The corner-sharing octahedra tilt angles range from 9–11°. All Tb–Rh bond lengths are 2.83 Å. There are a spread of Tb–Br bond distances ranging from 3.04–3.10 Å. Rh is bonded to six Tb atoms to form edge-sharing RhTb6 octahedra. There are nine inequivalent Br sites. In the first Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the second Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the third Br site, Br is bonded in an L-shaped geometry to two equivalent Tb atoms. In the fourth Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the fifth Br site, Br is bonded in a T-shaped geometry to three Tb atoms. In the sixth Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the seventh Br site, Br is bonded in a water-like geometry to two Tb atoms. In the eighth Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the ninth Br site, Br is bonded in an L-shaped geometry to two equivalent Tb atoms.
DOI: 10.17188/1752229
title: Materials Data on DyTmIr2 by Materials Project

description: TmDyIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Tm–Ir bond lengths are 2.95 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Dy–Ir bond lengths are 2.95 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Dy atoms.
DOI: 10.17188/1752230
title: Materials Data on Ba2ZnP2F by Materials Project

description: Ba2ZnP2F crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Ba2ZnP2F ribbon oriented in the (0, 0, 1) direction. Ba2+ is bonded in a linear geometry to one P+2.50- and one F1- atom. The Ba–P bond length is 3.02 Å. The Ba–F bond length is 2.47 Å. Zn2+ is bonded in a linear geometry to two equivalent P+2.50- atoms. Both Zn–P bond lengths are 2.21 Å. P+2.50- is bonded in a linear geometry to one Ba2+ and one Zn2+ atom. F1- is bonded in a linear geometry to two equivalent Ba2+ atoms.
DOI: 10.17188/1752231
title: Materials Data on GdLuRh2 by Materials Project

description: LuGdRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Lu–Rh bond lengths are 2.96 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Gd–Rh bond lengths are 2.96 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Gd atoms.
DOI: 10.17188/1752232
title: Materials Data on FePH5NO4F by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1752233
title: Materials Data on CsN by Materials Project

description: NCs is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent N1- atoms. All Cs–N bond lengths are 3.35 Å. N1- is bonded in a body-centered cubic geometry to eight equivalent Cs1+ atoms.
DOI: 10.17188/1752234
title: Materials Data on Co3Mo3C by Materials Project

description: Co3Mo3C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mo is bonded in a 2-coordinate geometry to six Co and two equivalent C atoms. There are a spread of Mo–Co bond distances ranging from 2.69–2.73 Å. Both Mo–C bond lengths are 2.14 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Mo and six equivalent Co atoms to form CoCo6Mo6 cuboctahedra that share edges with six equivalent CMo6 octahedra and faces with six equivalent CoCo6Mo6 cuboctahedra. All Co–Co bond lengths are 2.37 Å. In the second Co site, Co is bonded in a distorted q6 geometry to six equivalent Mo and six Co atoms. All Co–Co bond lengths are 2.49 Å. C is bonded to six equivalent Mo atoms to form CMo6 octahedra that share corners with six equivalent CMo6 octahedra and edges with six equivalent CoCo6Mo6 cuboctahedra. The corner-sharing octahedral tilt angles are 47°.
DOI: 10.17188/1752235
title: Materials Data on Sm4(GeO5)3 by Materials Project

description: Sm4(GeO5)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to eight O atoms to form distorted SmO8 pentagonal bipyramids that share corners with two equivalent GeO4 tetrahedra and edges with three equivalent SmO8 pentagonal bipyramids. There are a spread of Sm–O bond distances ranging from 2.31–2.88 Å. In the second Sm site, Sm is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.91 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra and corners with two equivalent SmO8 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 57°. There is two shorter (1.76 Å) and two longer (1.79 Å) Ge–O bond length. In the second Ge site, Ge is bonded to six O atoms to form GeO6 octahedra that share corners with two equivalent GeO6 octahedra and corners with four equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There is four shorter (1.93 Å) and two longer (1.94 Å) Ge–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two Sm and one Ge atom. In the second O site, O is bonded in a distorted trigonal planar geometry to two Sm and one Ge atom. In the third O site, O is bonded to two equivalent Sm and two equivalent Ge atoms to form distorted corner-sharing OSm2Ge2 tetrahedra. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Sm atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to two equivalent Sm atoms. In the sixth O site, O is bonded in a rectangular see-saw-like geometry to four Sm atoms. In the seventh O site, O is bonded in a distorted trigonal planar geometry to one Sm and two Ge atoms.
DOI: 10.17188/1752236
title: Materials Data on Er2Fe14Si3 by Materials Project

description: Er2Fe14Si3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are a spread of Er–Fe bond distances ranging from 2.86–3.24 Å. In the second Er site, Er is bonded in a 8-coordinate geometry to fourteen Fe and six equivalent Si atoms. There are a spread of Er–Fe bond distances ranging from 2.90–3.07 Å. All Er–Si bond lengths are 3.15 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to one Er, ten Fe, and three equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.29–2.80 Å. All Fe–Si bond lengths are 2.56 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two Er, eight Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.50–2.59 Å. Both Fe–Si bond lengths are 2.43 Å. In the third Fe site, Fe is bonded to three Er, seven Fe, and two equivalent Si atoms to form distorted FeEr3Fe7Si2 cuboctahedra that share corners with five equivalent SiEr2Fe10 cuboctahedra, corners with ten equivalent FeEr3Fe7Si2 cuboctahedra, edges with three equivalent SiEr2Fe10 cuboctahedra, edges with five equivalent FeEr3Fe7Si2 cuboctahedra, faces with two equivalent SiEr2Fe10 cuboctahedra, and faces with eight equivalent FeEr3Fe7Si2 cuboctahedra. Both Fe–Fe bond lengths are 2.43 Å. Both Fe–Si bond lengths are 2.39 Å. Si is bonded to two equivalent Er and ten Fe atoms to form distorted SiEr2Fe10 cuboctahedra that share corners with four equivalent SiEr2Fe10 cuboctahedra, corners with ten equivalent FeEr3Fe7Si2 cuboctahedra, edges with six equivalent FeEr3Fe7Si2 cuboctahedra, faces with four equivalent FeEr3Fe7Si2 cuboctahedra, and faces with six equivalent SiEr2Fe10 cuboctahedra.
DOI: 10.17188/1752237
title: Materials Data on Li2SnO6 by Materials Project

description: Li2SnO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Li–O bond distances ranging from 1.98–2.32 Å. Sn is bonded in an octahedral geometry to six O atoms. There are two shorter (2.08 Å) and four longer (2.11 Å) Sn–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Li and one Sn atom. In the second O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Sn atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Li and one Sn atom.
DOI: 10.17188/1752238
title: Materials Data on GaCuBr4 by Materials Project

description: CuGaBr4 crystallizes in the tetragonal P-42c space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Br1- atoms to form CuBr4 tetrahedra that share corners with four equivalent GaBr4 tetrahedra. All Cu–Br bond lengths are 2.47 Å. Ga3+ is bonded to four equivalent Br1- atoms to form GaBr4 tetrahedra that share corners with four equivalent CuBr4 tetrahedra. All Ga–Br bond lengths are 2.38 Å. Br1- is bonded in a water-like geometry to one Cu1+ and one Ga3+ atom.
DOI: 10.17188/1752239
title: Materials Data on Y2AlN3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1752240
title: Materials Data on Sm2MgSi2 by Materials Project

description: MgSm2Si2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg2+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All Mg–Si bond lengths are 2.93 Å. Sm3+ is bonded in a distorted hexagonal planar geometry to six equivalent Si4- atoms. There are two shorter (3.02 Å) and four longer (3.08 Å) Sm–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to two equivalent Mg2+, six equivalent Sm3+, and one Si4- atom. The Si–Si bond length is 2.40 Å.
DOI: 10.17188/1752241
title: Materials Data on RbCe3Te8 by Materials Project

description: RbCe3Te8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Rb–Te bond distances ranging from 3.67–3.83 Å. There are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Ce–Te bond distances ranging from 3.24–3.31 Å. In the second Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Ce–Te bond distances ranging from 3.23–3.31 Å. In the third Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to nine Te+1.25- atoms. There are a spread of Ce–Te bond distances ranging from 3.26–3.36 Å. There are eight inequivalent Te+1.25- sites. In the first Te+1.25- site, Te+1.25- is bonded to five Ce3+ atoms to form a mixture of distorted corner and edge-sharing TeCe5 trigonal bipyramids. In the second Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to two equivalent Rb1+, two Ce3+, and three Te+1.25- atoms. There are a spread of Te–Te bond distances ranging from 3.01–3.47 Å. In the third Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to two equivalent Rb1+, two Ce3+, and three Te+1.25- atoms. There are a spread of Te–Te bond distances ranging from 3.01–3.46 Å. In the fourth Te+1.25- site, Te+1.25- is bonded to five Ce3+ atoms to form a mixture of distorted corner and edge-sharing TeCe5 trigonal bipyramids. In the fifth Te+1.25- site, Te+1.25- is bonded in a 3-coordinate geometry to one Rb1+, two equivalent Ce3+, and four Te+1.25- atoms. In the sixth Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to one Rb1+, two Ce3+, and four Te+1.25- atoms. There are one shorter (3.08 Å) and one longer (3.09 Å) Te–Te bond lengths. In the seventh Te+1.25- site, Te+1.25- is bonded in a 4-coordinate geometry to two equivalent Rb1+, two Ce3+, and two equivalent Te+1.25- atoms. In the eighth Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Ce3+ atoms.
DOI: 10.17188/1752242
title: Materials Data on VPt8 by Materials Project

description: Pt8V crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. V5+ is bonded to twelve Pt+0.62- atoms to form VPt12 cuboctahedra that share corners with eight equivalent PtV2Pt10 cuboctahedra, faces with two equivalent VPt12 cuboctahedra, and faces with twelve equivalent PtV2Pt10 cuboctahedra. There are eight shorter (2.74 Å) and four longer (2.75 Å) V–Pt bond lengths. There are two inequivalent Pt+0.62- sites. In the first Pt+0.62- site, Pt+0.62- is bonded to two equivalent V5+ and ten Pt+0.62- atoms to form distorted PtV2Pt10 cuboctahedra that share corners with two equivalent VPt12 cuboctahedra, corners with four equivalent PtV2Pt10 cuboctahedra, edges with twelve equivalent PtV2Pt10 cuboctahedra, faces with three equivalent VPt12 cuboctahedra, and faces with seven equivalent PtV2Pt10 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.70–2.89 Å. In the second Pt+0.62- site, Pt+0.62- is bonded in a distorted single-bond geometry to one V5+ and six equivalent Pt+0.62- atoms.
DOI: 10.17188/1752243
title: Materials Data on Sr3Hg by Materials Project

description: Sr3Hg is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Sr3Hg sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a distorted water-like geometry to two equivalent Hg atoms. There are one shorter (3.37 Å) and one longer (3.41 Å) Sr–Hg bond lengths. In the second Sr site, Sr is bonded in a bent 150 degrees geometry to two equivalent Hg atoms. There are one shorter (3.28 Å) and one longer (3.32 Å) Sr–Hg bond lengths. Hg is bonded in a 6-coordinate geometry to six Sr atoms.
DOI: 10.17188/1752244
title: Materials Data on RuRh by Materials Project

description: RhRu crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ru is bonded to six equivalent Ru and six equivalent Rh atoms to form RuRu6Rh6 cuboctahedra that share corners with eighteen equivalent RuRu6Rh6 cuboctahedra, edges with six equivalent RuRu6Rh6 cuboctahedra, edges with twelve equivalent RhRu6Rh6 cuboctahedra, faces with eight equivalent RuRu6Rh6 cuboctahedra, and faces with twelve equivalent RhRu6Rh6 cuboctahedra. All Ru–Ru bond lengths are 2.73 Å. All Ru–Rh bond lengths are 2.68 Å. Rh is bonded to six equivalent Ru and six equivalent Rh atoms to form RhRu6Rh6 cuboctahedra that share corners with eighteen equivalent RhRu6Rh6 cuboctahedra, edges with six equivalent RhRu6Rh6 cuboctahedra, edges with twelve equivalent RuRu6Rh6 cuboctahedra, faces with eight equivalent RhRu6Rh6 cuboctahedra, and faces with twelve equivalent RuRu6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.73 Å.
DOI: 10.17188/1752245
title: Materials Data on Sr2LaNbO6 by Materials Project

description: Sr2LaNbO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent LaO6 octahedra, and faces with four equivalent NbO6 octahedra. All Sr–O bond lengths are 3.08 Å. La3+ is bonded to six equivalent O2- atoms to form LaO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All La–O bond lengths are 2.33 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent LaO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.01 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one La3+, and one Nb5+ atom.
DOI: 10.17188/1752246
title: Materials Data on Ca5(AgN2)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1752247
title: Materials Data on Er3Hg by Materials Project

description: Er3Hg is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to eight equivalent Er and four equivalent Hg atoms to form distorted ErEr8Hg4 cuboctahedra that share corners with twelve equivalent ErEr8Hg4 cuboctahedra, edges with eight equivalent HgEr12 cuboctahedra, edges with sixteen equivalent ErEr8Hg4 cuboctahedra, faces with four equivalent HgEr12 cuboctahedra, and faces with fourteen equivalent ErEr8Hg4 cuboctahedra. All Er–Er bond lengths are 3.37 Å. All Er–Hg bond lengths are 3.37 Å. Hg is bonded to twelve equivalent Er atoms to form HgEr12 cuboctahedra that share corners with twelve equivalent HgEr12 cuboctahedra, edges with twenty-four equivalent ErEr8Hg4 cuboctahedra, faces with six equivalent HgEr12 cuboctahedra, and faces with twelve equivalent ErEr8Hg4 cuboctahedra.
DOI: 10.17188/1752248
title: Materials Data on UNb4O12 by Materials Project

description: UNb4O12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U4+ is bonded to twelve O2- atoms to form UO12 cuboctahedra that share corners with four equivalent UO12 cuboctahedra and faces with eight equivalent NbO6 octahedra. There are eight shorter (2.56 Å) and four longer (2.80 Å) U–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with two equivalent UO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–16°. There are a spread of Nb–O bond distances ranging from 1.95–2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one U4+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent U4+ and two equivalent Nb5+ atoms.
DOI: 10.17188/1752249
title: Materials Data on SmCoSb2 by Materials Project

description: SmCoSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight Sb+2.50- atoms. There are four shorter (3.26 Å) and four longer (3.31 Å) Sm–Sb bond lengths. Co2+ is bonded to four equivalent Sb+2.50- atoms to form a mixture of edge and corner-sharing CoSb4 tetrahedra. All Co–Sb bond lengths are 2.54 Å. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Sb+2.50- atoms. All Sb–Sb bond lengths are 3.09 Å. In the second Sb+2.50- site, Sb+2.50- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Co2+ atoms.
DOI: 10.17188/1752250
title: Materials Data on TmB2Rh3 by Materials Project

description: TmRh3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to two equivalent Tm, twelve equivalent Rh, and six equivalent B atoms. Both Tm–Tm bond lengths are 3.12 Å. All Tm–Rh bond lengths are 3.12 Å. All Tm–B bond lengths are 3.12 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Tm and four equivalent B atoms. All Rh–B bond lengths are 2.21 Å. B is bonded in a 6-coordinate geometry to three equivalent Tm and six equivalent Rh atoms.
DOI: 10.17188/1752252
title: Materials Data on Tc(ClO)6 by Materials Project

description: TcCl6(O2)3 is alpha Pu-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one hexachlorotechnetium molecule and three hydrogen peroxide molecules.