cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1206322
title: Materials Data on Ba3P2 by Materials Project

description: Ba3P2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 5-coordinate geometry to six P3- atoms. There are a spread of Ba–P bond distances ranging from 3.18–3.90 Å. In the second Ba2+ site, Ba2+ is bonded to five P3- atoms to form a mixture of distorted face, edge, and corner-sharing BaP5 trigonal bipyramids. There are a spread of Ba–P bond distances ranging from 3.14–3.66 Å. In the third Ba2+ site, Ba2+ is bonded to five P3- atoms to form a mixture of distorted face, edge, and corner-sharing BaP5 square pyramids. There are a spread of Ba–P bond distances ranging from 3.25–3.59 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 8-coordinate geometry to eight Ba2+ atoms. In the second P3- site, P3- is bonded in a 8-coordinate geometry to eight Ba2+ atoms. In the third P3- site, P3- is bonded in a 7-coordinate geometry to eight Ba2+ atoms.
DOI: 10.17188/1206324
title: Materials Data on Ce5O9 by Materials Project

description: Ce5O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Ce+3.60+ sites. In the first Ce+3.60+ site, Ce+3.60+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.33–2.56 Å. In the second Ce+3.60+ site, Ce+3.60+ is bonded to seven O2- atoms to form distorted edge-sharing CeO7 pentagonal bipyramids. There are a spread of Ce–O bond distances ranging from 2.32–2.42 Å. In the third Ce+3.60+ site, Ce+3.60+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.27–2.60 Å. In the fourth Ce+3.60+ site, Ce+3.60+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.51 Å. In the fifth Ce+3.60+ site, Ce+3.60+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.30–2.43 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ce+3.60+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to four Ce+3.60+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the third O2- site, O2- is bonded to four Ce+3.60+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the fourth O2- site, O2- is bonded to four Ce+3.60+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the fifth O2- site, O2- is bonded to four Ce+3.60+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the sixth O2- site, O2- is bonded to four Ce+3.60+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the seventh O2- site, O2- is bonded to four Ce+3.60+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the eighth O2- site, O2- is bonded to four Ce+3.60+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the ninth O2- site, O2- is bonded to four Ce+3.60+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.
DOI: 10.17188/1206325
title: Materials Data on Ga2S3 by Materials Project

description: Ga2S3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are one shorter (2.22 Å) and three longer (2.35 Å) Ga–S bond lengths. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.23–2.36 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two Ga3+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms. In the third S2- site, S2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms.
DOI: 10.17188/1206326
title: Materials Data on Tm(CoSi)2 by Materials Project

description: TmCo2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Tm–Si bond lengths are 2.99 Å. Co+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.27 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Tm3+, four equivalent Co+2.50+, and one Si4- atom. The Si–Si bond length is 2.46 Å.
DOI: 10.17188/1206327
title: Materials Data on Ce2S3 by Materials Project

description: Ce2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.82–3.16 Å. In the second Ce3+ site, Ce3+ is bonded to eight S2- atoms to form a mixture of distorted face, edge, and corner-sharing CeS8 hexagonal bipyramids. There are a spread of Ce–S bond distances ranging from 2.84–3.02 Å. In the third Ce3+ site, Ce3+ is bonded to eight S2- atoms to form a mixture of distorted face, edge, and corner-sharing CeS8 hexagonal bipyramids. There are a spread of Ce–S bond distances ranging from 2.86–3.08 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Ce3+ atoms. In the second S2- site, S2- is bonded to five Ce3+ atoms to form a mixture of distorted face, edge, and corner-sharing SCe5 square pyramids. In the third S2- site, S2- is bonded to five Ce3+ atoms to form a mixture of distorted face, edge, and corner-sharing SCe5 square pyramids.
DOI: 10.17188/1206328
title: Materials Data on USO by Materials Project

description: USO is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U4+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent O2- atoms. There are four shorter (2.90 Å) and one longer (2.92 Å) U–S bond lengths. All U–O bond lengths are 2.33 Å. S2- is bonded in a 5-coordinate geometry to five equivalent U4+ atoms. O2- is bonded to four equivalent U4+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra.
DOI: 10.17188/1206331
title: Materials Data on Sr3P2 by Materials Project

description: Sr3P2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to five P3- atoms to form a mixture of distorted edge, corner, and face-sharing SrP5 trigonal bipyramids. There are a spread of Sr–P bond distances ranging from 2.98–3.45 Å. In the second Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Sr–P bond distances ranging from 3.00–3.50 Å. In the third Sr2+ site, Sr2+ is bonded to five P3- atoms to form a mixture of distorted edge, corner, and face-sharing SrP5 trigonal bipyramids. There are a spread of Sr–P bond distances ranging from 3.04–3.43 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 8-coordinate geometry to eight Sr2+ atoms. In the second P3- site, P3- is bonded in a 8-coordinate geometry to eight Sr2+ atoms. In the third P3- site, P3- is bonded in a 7-coordinate geometry to seven Sr2+ atoms.
DOI: 10.17188/1206332
title: Materials Data on Th(NiGe)2 by Materials Project

description: Th(NiGe)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 Ni and eight equivalent Ge atoms. All Th–Ni bond lengths are 3.21 Å. All Th–Ge bond lengths are 3.22 Å. Ni is bonded in a 4-coordinate geometry to four equivalent Th and four equivalent Ge atoms. All Ni–Ge bond lengths are 2.39 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Th, four equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.57 Å.
DOI: 10.17188/1206333
title: Materials Data on La5S8 by Materials Project

description: La5S8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to eight S+1.88- atoms to form a mixture of distorted edge, face, and corner-sharing LaS8 hexagonal bipyramids. There are a spread of La–S bond distances ranging from 2.89–3.15 Å. In the second La3+ site, La3+ is bonded to eight S+1.88- atoms to form a mixture of distorted face and corner-sharing LaS8 hexagonal bipyramids. There are four shorter (2.93 Å) and four longer (3.03 Å) La–S bond lengths. There are two inequivalent S+1.88- sites. In the first S+1.88- site, S+1.88- is bonded to five La3+ atoms to form a mixture of distorted edge, face, and corner-sharing SLa5 square pyramids. In the second S+1.88- site, S+1.88- is bonded to five La3+ atoms to form a mixture of distorted edge, face, and corner-sharing SLa5 trigonal bipyramids.
DOI: 10.17188/1206334
title: Materials Data on LiS by Materials Project

description: LiS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S1- atoms to form a mixture of edge and corner-sharing LiS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–S bond lengths are 2.51 Å. S1- is bonded to six equivalent Li1+ atoms to form a mixture of edge and corner-sharing SLi6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1206335
title: Materials Data on Lu2S3 by Materials Project

description: Lu2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Lu–S bond distances ranging from 2.66–3.18 Å. In the second Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Lu–S bond distances ranging from 2.68–2.99 Å. In the third Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Lu–S bond distances ranging from 2.70–3.06 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Lu3+ atoms. In the second S2- site, S2- is bonded to five Lu3+ atoms to form a mixture of distorted edge, face, and corner-sharing SLu5 trigonal bipyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five Lu3+ atoms.
DOI: 10.17188/1206336
title: Materials Data on Pr5Cl12 by Materials Project

description: Pr5Cl12 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are eight inequivalent Pr sites. In the first Pr site, Pr is bonded in a 9-coordinate geometry to nine Cl atoms. There are a spread of Pr–Cl bond distances ranging from 2.85–3.21 Å. In the second Pr site, Pr is bonded in a 9-coordinate geometry to nine Cl atoms. There are six shorter (2.86 Å) and three longer (3.31 Å) Pr–Cl bond lengths. In the third Pr site, Pr is bonded in a 9-coordinate geometry to nine Cl atoms. There are a spread of Pr–Cl bond distances ranging from 2.84–3.29 Å. In the fourth Pr site, Pr is bonded in a 9-coordinate geometry to nine Cl atoms. There are a spread of Pr–Cl bond distances ranging from 2.83–3.27 Å. In the fifth Pr site, Pr is bonded in a 9-coordinate geometry to nine Cl atoms. There are a spread of Pr–Cl bond distances ranging from 2.90–3.17 Å. In the sixth Pr site, Pr is bonded in a distorted hexagonal planar geometry to six Cl atoms. There are three shorter (2.95 Å) and three longer (3.03 Å) Pr–Cl bond lengths. In the seventh Pr site, Pr is bonded in a 9-coordinate geometry to nine Cl atoms. There are a spread of Pr–Cl bond distances ranging from 2.93–3.19 Å. In the eighth Pr site, Pr is bonded in a 6-coordinate geometry to six equivalent Cl atoms. All Pr–Cl bond lengths are 3.00 Å. There are six inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted trigonal non-coplanar geometry to three Pr atoms. In the second Cl site, Cl is bonded in a distorted trigonal non-coplanar geometry to three Pr atoms. In the third Cl site, Cl is bonded in a distorted trigonal non-coplanar geometry to three Pr atoms. In the fourth Cl site, Cl is bonded to four Pr atoms to form a mixture of distorted corner and edge-sharing ClPr4 tetrahedra. In the fifth Cl site, Cl is bonded to four Pr atoms to form a mixture of distorted corner and edge-sharing ClPr4 tetrahedra. In the sixth Cl site, Cl is bonded to four Pr atoms to form a mixture of distorted corner and edge-sharing ClPr4 tetrahedra.
DOI: 10.17188/1206338
title: Materials Data on Sc2Te3 by Materials Project

description: Sc2Te3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing ScTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Sc–Te bond distances ranging from 2.91–2.95 Å. In the second Sc3+ site, Sc3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing ScTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Sc–Te bond distances ranging from 2.92–2.94 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Sc3+ atoms. In the second Te2- site, Te2- is bonded in a square co-planar geometry to four Sc3+ atoms.
DOI: 10.17188/1206339
title: Materials Data on WO3 by Materials Project

description: WO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–29°. There are a spread of W–O bond distances ranging from 1.87–2.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms.
DOI: 10.17188/1206340
title: Materials Data on SiO2 by Materials Project

description: SiO2 is Hydrophilite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SiO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of Si–O bond distances ranging from 1.77–1.84 Å. In the second Si4+ site, Si4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SiO6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Si–O bond distances ranging from 1.78–1.84 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Si4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Si4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Si4+ atoms.
DOI: 10.17188/1206343
title: Materials Data on Pu2Se3 by Materials Project

description: Pu2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Pu3+ sites. In the first Pu3+ site, Pu3+ is bonded to eight Se2- atoms to form a mixture of distorted edge, face, and corner-sharing PuSe8 hexagonal bipyramids. There are a spread of Pu–Se bond distances ranging from 2.90–3.16 Å. In the second Pu3+ site, Pu3+ is bonded to eight Se2- atoms to form a mixture of distorted edge, face, and corner-sharing PuSe8 hexagonal bipyramids. There are a spread of Pu–Se bond distances ranging from 2.92–3.10 Å. In the third Pu3+ site, Pu3+ is bonded to eight Se2- atoms to form a mixture of distorted edge, face, and corner-sharing PuSe8 hexagonal bipyramids. There are a spread of Pu–Se bond distances ranging from 2.94–3.12 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Pu3+ atoms to form a mixture of distorted edge, face, and corner-sharing SePu5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Pu3+ atoms. In the third Se2- site, Se2- is bonded to five Pu3+ atoms to form a mixture of distorted edge, face, and corner-sharing SePu5 square pyramids.
DOI: 10.17188/1206344
title: Materials Data on Nb10C7 by Materials Project

description: Nb10C7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Nb+2.80+ sites. In the first Nb+2.80+ site, Nb+2.80+ is bonded in a rectangular see-saw-like geometry to four C4- atoms. There are a spread of Nb–C bond distances ranging from 2.14–2.26 Å. In the second Nb+2.80+ site, Nb+2.80+ is bonded in a rectangular see-saw-like geometry to four C4- atoms. There are a spread of Nb–C bond distances ranging from 2.22–2.29 Å. In the third Nb+2.80+ site, Nb+2.80+ is bonded to five C4- atoms to form a mixture of edge and corner-sharing NbC5 square pyramids. There are one shorter (2.13 Å) and four longer (2.25 Å) Nb–C bond lengths. There are four inequivalent C4- sites. In the first C4- site, C4- is bonded to six Nb+2.80+ atoms to form a mixture of edge and corner-sharing CNb6 octahedra. The corner-sharing octahedra tilt angles range from 3–7°. In the second C4- site, C4- is bonded to six Nb+2.80+ atoms to form a mixture of edge and corner-sharing CNb6 octahedra. The corner-sharing octahedra tilt angles range from 2–6°. In the third C4- site, C4- is bonded to six Nb+2.80+ atoms to form a mixture of edge and corner-sharing CNb6 octahedra. The corner-sharing octahedra tilt angles range from 2–7°. In the fourth C4- site, C4- is bonded to six Nb+2.80+ atoms to form a mixture of edge and corner-sharing CNb6 octahedra. The corner-sharing octahedral tilt angles are 3°.
DOI: 10.17188/1206345
title: Materials Data on YbB2Ru3 by Materials Project

description: YbRu3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to two equivalent Yb, twelve equivalent Ru, and six equivalent B atoms. Both Yb–Yb bond lengths are 2.95 Å. All Yb–Ru bond lengths are 3.15 Å. All Yb–B bond lengths are 3.21 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Yb and four equivalent B atoms. All Ru–B bond lengths are 2.18 Å. B is bonded in a 6-coordinate geometry to three equivalent Yb and six equivalent Ru atoms.
DOI: 10.17188/1206346
title: Materials Data on Te8Ir3 by Materials Project

description: Ir3Te8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Ir+3.33+ sites. In the first Ir+3.33+ site, Ir+3.33+ is bonded to six Te+1.25- atoms to form corner-sharing IrTe6 octahedra. The corner-sharing octahedra tilt angles range from 62–64°. There are a spread of Ir–Te bond distances ranging from 2.67–2.73 Å. In the second Ir+3.33+ site, Ir+3.33+ is bonded to six Te+1.25- atoms to form corner-sharing IrTe6 octahedra. The corner-sharing octahedra tilt angles range from 62–64°. There are four shorter (2.70 Å) and two longer (2.74 Å) Ir–Te bond lengths. In the third Ir+3.33+ site, Ir+3.33+ is bonded to six Te+1.25- atoms to form corner-sharing IrTe6 octahedra. The corner-sharing octahedra tilt angles range from 62–64°. There are a spread of Ir–Te bond distances ranging from 2.68–2.72 Å. In the fourth Ir+3.33+ site, Ir+3.33+ is bonded to six Te+1.25- atoms to form corner-sharing IrTe6 octahedra. The corner-sharing octahedra tilt angles range from 62–64°. There are a spread of Ir–Te bond distances ranging from 2.68–2.73 Å. In the fifth Ir+3.33+ site, Ir+3.33+ is bonded to six Te+1.25- atoms to form corner-sharing IrTe6 octahedra. The corner-sharing octahedra tilt angles range from 62–64°. There are a spread of Ir–Te bond distances ranging from 2.67–2.71 Å. In the sixth Ir+3.33+ site, Ir+3.33+ is bonded to six Te+1.25- atoms to form corner-sharing IrTe6 octahedra. The corner-sharing octahedra tilt angles range from 62–64°. There are a spread of Ir–Te bond distances ranging from 2.67–2.71 Å. There are twelve inequivalent Te+1.25- sites. In the first Te+1.25- site, Te+1.25- is bonded in a 2-coordinate geometry to two Ir+3.33+ atoms. In the second Te+1.25- site, Te+1.25- is bonded in a 1-coordinate geometry to one Ir+3.33+ and one Te+1.25- atom. The Te–Te bond length is 2.88 Å. In the third Te+1.25- site, Te+1.25- is bonded in a 2-coordinate geometry to two Ir+3.33+ and one Te+1.25- atom. The Te–Te bond length is 2.92 Å. In the fourth Te+1.25- site, Te+1.25- is bonded in a 4-coordinate geometry to three Ir+3.33+ and one Te+1.25- atom. The Te–Te bond length is 2.94 Å. In the fifth Te+1.25- site, Te+1.25- is bonded in a 2-coordinate geometry to two Ir+3.33+ and one Te+1.25- atom. In the sixth Te+1.25- site, Te+1.25- is bonded in a 4-coordinate geometry to three Ir+3.33+ and one Te+1.25- atom. In the seventh Te+1.25- site, Te+1.25- is bonded in a 2-coordinate geometry to two Ir+3.33+ atoms. In the eighth Te+1.25- site, Te+1.25- is bonded in a 4-coordinate geometry to three Ir+3.33+ and one Te+1.25- atom. In the ninth Te+1.25- site, Te+1.25- is bonded in a 2-coordinate geometry to two Ir+3.33+ and one Te+1.25- atom. The Te–Te bond length is 2.91 Å. In the tenth Te+1.25- site, Te+1.25- is bonded in a 2-coordinate geometry to two Ir+3.33+ atoms. In the eleventh Te+1.25- site, Te+1.25- is bonded in a 2-coordinate geometry to two Ir+3.33+ atoms. In the twelfth Te+1.25- site, Te+1.25- is bonded in a 4-coordinate geometry to three Ir+3.33+ and one Te+1.25- atom. The Te–Te bond length is 2.93 Å.
DOI: 10.17188/1206347
title: Materials Data on HBr by Materials Project

description: HBr is alpha carbon monoxide structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four hydrobromic acid molecules. H1+ is bonded in a single-bond geometry to one Br1- atom. The H–Br bond length is 1.44 Å. Br1- is bonded in a single-bond geometry to one H1+ atom.
DOI: 10.17188/1206348
title: Materials Data on CoO2 by Materials Project

description: Lix0CoO2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Lix0CoO2 sheet oriented in the (0, 0, 1) direction. Co4+ is bonded to six equivalent O2- atoms to form edge-sharing CoO6 octahedra. All Co–O bond lengths are 1.89 Å. O2- is bonded in a 3-coordinate geometry to three equivalent Co4+ atoms.