cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1678243
title: Materials Data on Cr2PO5 by Materials Project

description: Cr2PO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cr+2.50+ sites. In the first Cr+2.50+ site, Cr+2.50+ is bonded to six O2- atoms to form distorted CrO6 octahedra that share corners with two equivalent CrO6 octahedra, corners with four equivalent PO4 tetrahedra, edges with two equivalent CrO6 octahedra, and faces with two equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are a spread of Cr–O bond distances ranging from 2.06–2.38 Å. In the second Cr+2.50+ site, Cr+2.50+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four CrO6 octahedra, corners with four equivalent PO4 tetrahedra, and faces with two equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 46–63°. There are a spread of Cr–O bond distances ranging from 1.95–2.12 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with eight CrO6 octahedra. The corner-sharing octahedra tilt angles range from 35–58°. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cr+2.50+ and one P5+ atom. In the second O2- site, O2- is bonded to four Cr+2.50+ atoms to form distorted corner-sharing OCr4 trigonal pyramids. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Cr+2.50+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Cr+2.50+ and one P5+ atom.
DOI: 10.17188/1678244
title: Materials Data on YCrO4 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: 10.17188/1678245
title: Materials Data on Lu4MgNi by Materials Project

description: Lu4NiMg crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Lu atoms to form a mixture of face and corner-sharing MgLu9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.01 Å. There are a spread of Mg–Lu bond distances ranging from 3.21–3.44 Å. There are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Lu, and three equivalent Ni atoms. All Lu–Lu bond lengths are 3.42 Å. All Lu–Ni bond lengths are 2.72 Å. In the second Lu site, Lu is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Lu, and two equivalent Ni atoms. All Lu–Lu bond lengths are 3.53 Å. Both Lu–Ni bond lengths are 2.74 Å. In the third Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Mg, ten Lu, and two equivalent Ni atoms. All Lu–Lu bond lengths are 3.50 Å. Both Lu–Ni bond lengths are 3.41 Å. Ni is bonded in a 6-coordinate geometry to nine Lu atoms.
DOI: 10.17188/1678246
title: Materials Data on VCoO3 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: 10.17188/1678248
title: Materials Data on LiH2N by Materials Project

description: LiNH2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two LiNH2 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded in a 4-coordinate geometry to four equivalent N3- and four H1+ atoms. There are a spread of Li–N bond distances ranging from 2.12–2.15 Å. There are a spread of Li–H bond distances ranging from 2.17–2.29 Å. N3- is bonded in a distorted water-like geometry to four equivalent Li1+ and two H1+ atoms. Both N–H bond lengths are 1.04 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Li1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Li1+ and one N3- atom.
DOI: 10.17188/1678249
title: Materials Data on Ba2CeZrO6 by Materials Project

description: Ba2CeZrO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent CeO6 octahedra, and faces with four equivalent ZrO6 octahedra. All Ba–O bond lengths are 3.09 Å. Ce4+ is bonded to six O2- atoms to form CeO6 octahedra that share corners with two equivalent CeO6 octahedra, corners with four equivalent ZrO6 octahedra, and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.18 Å) and four longer (2.25 Å) Ce–O bond lengths. Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with two equivalent ZrO6 octahedra, corners with four equivalent CeO6 octahedra, and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.12 Å) and two longer (2.18 Å) Zr–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Ce4+, and one Zr4+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Ce4+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Zr4+ atoms.
DOI: 10.17188/1678250
title: Materials Data on Ce3Rh2 by Materials Project

description: Ce3Rh2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in an octahedral geometry to six equivalent Rh atoms. All Ce–Rh bond lengths are 3.00 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to six equivalent Rh atoms. There are three shorter (2.88 Å) and three longer (3.11 Å) Ce–Rh bond lengths. In the third Ce site, Ce is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.82–3.25 Å. Rh is bonded in a 8-coordinate geometry to eight Ce atoms.
DOI: 10.17188/1678252
title: Materials Data on Al5O8 by Materials Project

description: Al5O8 is beta indium sulfide-like structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Al sites. In the first Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with two equivalent AlO6 octahedra, corners with three equivalent AlO4 tetrahedra, and edges with five AlO6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of Al–O bond distances ranging from 1.82–1.97 Å. In the second Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra, corners with three equivalent AlO4 tetrahedra, and edges with three equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 48°. There is three shorter (1.87 Å) and three longer (2.00 Å) Al–O bond length. In the third Al site, Al is bonded to four O atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 58–61°. All Al–O bond lengths are 1.82 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to three equivalent Al atoms. In the second O site, O is bonded to four Al atoms to form a mixture of distorted corner and edge-sharing OAl4 tetrahedra. In the third O site, O is bonded in a distorted T-shaped geometry to three Al atoms. In the fourth O site, O is bonded to four Al atoms to form a mixture of distorted corner and edge-sharing OAl4 tetrahedra.
DOI: 10.17188/1678253
title: Materials Data on Ti8N5 by Materials Project

description: Ti8N5 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded in a square co-planar geometry to four N atoms. There are three shorter (2.10 Å) and one longer (2.20 Å) Ti–N bond lengths. In the second Ti site, Ti is bonded in a T-shaped geometry to three N atoms. There are one shorter (2.07 Å) and two longer (2.10 Å) Ti–N bond lengths. In the third Ti site, Ti is bonded to five N atoms to form a mixture of edge and corner-sharing TiN5 square pyramids. There are one shorter (2.01 Å) and four longer (2.11 Å) Ti–N bond lengths. In the fourth Ti site, Ti is bonded in a T-shaped geometry to three N atoms. There are one shorter (2.03 Å) and two longer (2.10 Å) Ti–N bond lengths. There are four inequivalent N sites. In the first N site, N is bonded to six Ti atoms to form a mixture of edge and corner-sharing NTi6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the second N site, N is bonded to six Ti atoms to form a mixture of edge and corner-sharing NTi6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. In the third N site, N is bonded to six Ti atoms to form a mixture of edge and corner-sharing NTi6 octahedra. The corner-sharing octahedra tilt angles range from 3–4°. In the fourth N site, N is bonded to six Ti atoms to form a mixture of edge and corner-sharing NTi6 octahedra. The corner-sharing octahedra tilt angles range from 0–8°.
DOI: 10.17188/1678254
title: Materials Data on NaFe2(SiO3)4 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: 10.17188/1678255
title: Materials Data on Li3MnV(PO4)3 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: 10.17188/1678256
title: Materials Data on RbNiC2BrN2 by Materials Project

description: NiRb2NiC4(N2Br)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two nickel molecules and one Rb2NiC4(N2Br)2 framework. In the Rb2NiC4(N2Br)2 framework, Rb1+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Rb–Br bond lengths are 3.56 Å. Ni2+ is bonded in a distorted octahedral geometry to four equivalent N3- and two equivalent Br1- atoms. All Ni–N bond lengths are 2.00 Å. Both Ni–Br bond lengths are 2.72 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a linear geometry to one Ni2+ and one C2+ atom. Br1- is bonded to four equivalent Rb1+ and one Ni2+ atom to form a mixture of distorted edge and corner-sharing BrRb4Ni square pyramids.
DOI: 10.17188/1678257
title: Materials Data on Cs2NaSmF6 by Materials Project

description: Cs2NaSmF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent SmF6 octahedra. All Cs–F bond lengths are 3.29 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent SmF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.39 Å. Sm3+ is bonded to six equivalent F1- atoms to form SmF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–F bond lengths are 2.25 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Na1+, and one Sm3+ atom.
DOI: 10.17188/1678258
title: Materials Data on BaSr2(SnO3)3 by Materials Project

description: BaSr2(SnO3)3 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form distorted BaO12 cuboctahedra that share corners with nine equivalent BaO12 cuboctahedra and faces with eight SnO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.67–3.21 Å. There are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.92 Å. In the second Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to five O2- atoms. There are one shorter (2.59 Å) and four longer (2.66 Å) Sr–O bond lengths. In the third Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.94 Å. There are three inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six SnO6 octahedra and faces with four equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 15–22°. There are three shorter (2.09 Å) and three longer (2.10 Å) Sn–O bond lengths. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six SnO6 octahedra and faces with three equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 15–24°. There are a spread of Sn–O bond distances ranging from 2.08–2.10 Å. In the third Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six SnO6 octahedra and a faceface with one BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 17–25°. There are four shorter (2.09 Å) and two longer (2.10 Å) Sn–O bond lengths. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent Sn4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+, one Sr2+, and two equivalent Sn4+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Ba2+, two Sr2+, and two Sn4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and two Sn4+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+ and two equivalent Sn4+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, one Sr2+, and two equivalent Sn4+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, one Sr2+, and two Sn4+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, two Sr2+, and two Sn4+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Sr2+, and two Sn4+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Sr2+, and two Sn4+ atoms.
DOI: 10.17188/1678259
title: Materials Data on Er6CoBi2 by Materials Project

description: Er6CoBi2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent Bi atoms. Both Er–Co bond lengths are 2.79 Å. Both Er–Bi bond lengths are 3.29 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to one Co and four equivalent Bi atoms. The Er–Co bond length is 3.25 Å. All Er–Bi bond lengths are 3.28 Å. Co is bonded in a 9-coordinate geometry to nine Er atoms. Bi is bonded in a 9-coordinate geometry to nine Er atoms.
DOI: 10.17188/1678260
title: Materials Data on Mn12O7F17 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: 10.17188/1678261
title: Materials Data on AlPO6 by Materials Project

description: AlPO6 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Al is bonded to six O atoms to form AlO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.81–1.95 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 36–42°. There are a spread of P–O bond distances ranging from 1.52–1.56 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Al and one P atom. In the second O site, O is bonded in a single-bond geometry to one Al atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Al and one P atom. In the fourth O site, O is bonded in a single-bond geometry to one Al atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Al and one P atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Al and one P atom.
DOI: 10.17188/1678262
title: Materials Data on LiFeF3 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: 10.17188/1678263
title: Materials Data on U2TiS5 by Materials Project

description: U2TiS5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.77–2.93 Å. Ti4+ is bonded to seven S2- atoms to form distorted edge-sharing TiS7 pentagonal bipyramids. There are a spread of Ti–S bond distances ranging from 2.45–2.66 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent U3+ and two equivalent Ti4+ atoms to form distorted SU2Ti2 trigonal pyramids that share corners with four equivalent SU4Ti square pyramids, corners with four SU4Ti trigonal bipyramids, corners with six equivalent SU2Ti2 trigonal pyramids, an edgeedge with one SU4Ti square pyramid, edges with four SU4Ti trigonal bipyramids, and an edgeedge with one SU2Ti2 trigonal pyramid. In the second S2- site, S2- is bonded to four equivalent U3+ and one Ti4+ atom to form distorted SU4Ti trigonal bipyramids that share corners with five equivalent SU4Ti square pyramids, corners with five SU4Ti trigonal bipyramids, corners with four equivalent SU2Ti2 trigonal pyramids, edges with two equivalent SU4Ti square pyramids, edges with four equivalent SU4Ti trigonal bipyramids, and edges with four equivalent SU2Ti2 trigonal pyramids. In the third S2- site, S2- is bonded to four equivalent U3+ and one Ti4+ atom to form SU4Ti square pyramids that share corners with nine SU4Ti trigonal bipyramids, corners with eight equivalent SU2Ti2 trigonal pyramids, edges with two equivalent SU4Ti square pyramids, edges with three SU4Ti trigonal bipyramids, edges with two equivalent SU2Ti2 trigonal pyramids, and a faceface with one SU4Ti trigonal bipyramid. In the fourth S2- site, S2- is bonded to four equivalent U3+ and one Ti4+ atom to form distorted SU4Ti trigonal bipyramids that share corners with four equivalent SU4Ti square pyramids, corners with five SU4Ti trigonal bipyramids, corners with four equivalent SU2Ti2 trigonal pyramids, an edgeedge with one SU4Ti square pyramid, edges with four equivalent SU4Ti trigonal bipyramids, edges with four equivalent SU2Ti2 trigonal pyramids, and a faceface with one SU4Ti square pyramid.
DOI: 10.17188/1678264
title: Materials Data on Hf2NiRh by Materials Project

description: Hf2RhNi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2RhNi ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Rh and one Ni atom. The Hf–Rh bond length is 2.33 Å. The Hf–Ni bond length is 2.34 Å. Rh is bonded in a linear geometry to two equivalent Hf atoms. Ni is bonded in a linear geometry to two equivalent Hf atoms.
DOI: 10.17188/1678265
title: Materials Data on La2CoRuO6 by Materials Project

description: La2RuCoO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.79 Å. Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 30–31°. There are four shorter (2.03 Å) and two longer (2.04 Å) Ru–O bond lengths. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 30–31°. There are a spread of Co–O bond distances ranging from 2.07–2.13 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Ru4+, and one Co2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Ru4+, and one Co2+ atom. In the third O2- site, O2- is bonded to two equivalent La3+, one Ru4+, and one Co2+ atom to form distorted corner-sharing OLa2CoRu tetrahedra.
DOI: 10.17188/1678266
title: Materials Data on LuGaNi2 by Materials Project

description: LuNi2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Ga atoms. All Lu–Ni bond lengths are 2.68 Å. All Lu–Ga bond lengths are 3.10 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Ga atoms. All Ni–Ga bond lengths are 2.68 Å. Ga is bonded in a distorted body-centered cubic geometry to six equivalent Lu and eight equivalent Ni atoms.
DOI: 10.17188/1678269
title: Materials Data on UB4Os by Materials Project

description: UOsB4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. U4+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of U–B bond distances ranging from 2.63–2.75 Å. Os2+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Os–B bond distances ranging from 2.26–2.41 Å. There are three 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 U4+, two equivalent Os2+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.74–1.89 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent U4+, two equivalent Os2+, and three B+1.50- atoms. The B–B bond length is 1.76 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent U4+, four equivalent Os2+, and three B+1.50- atoms. The B–B bond length is 1.75 Å.