cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1707933
title: Materials Data on MnP2(HO4)2 by Materials Project

description: MnP2(HO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two MnP2(HO4)2 sheets oriented in the (0, 1, 0) direction. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six PO4 tetrahedra and an edgeedge with one MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.92–2.32 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 10–42°. There are a spread of P–O bond distances ranging from 1.51–1.60 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–53°. There are a spread of P–O bond distances ranging from 1.52–1.61 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mn4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn4+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a linear geometry to one Mn4+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn4+ and one P5+ atom.
DOI: 10.17188/1707934
title: Materials Data on LiMnRh2 by Materials Project

description: LiMnRh2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiMnRh2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Rh atoms. Both Li–Rh bond lengths are 2.45 Å. Mn is bonded in a linear geometry to two equivalent Rh atoms. Both Mn–Rh bond lengths are 2.26 Å. Rh is bonded in a linear geometry to one Li and one Mn atom.
DOI: 10.17188/1707935
title: Materials Data on CoBr2(N3O)2 by Materials Project

description: CoN5Br2NO2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four nitrous acid molecules and two CoN5Br2 ribbons oriented in the (0, 0, 1) direction. In each CoN5Br2 ribbon, Co4+ is bonded in a trigonal bipyramidal geometry to five N+1.67- atoms. There are a spread of Co–N bond distances ranging from 1.56–1.99 Å. There are three inequivalent N+1.67- sites. In the first N+1.67- site, N+1.67- is bonded in a single-bond geometry to one Co4+ atom. In the second N+1.67- site, N+1.67- is bonded in a 1-coordinate geometry to one Co4+ and one Br5+ atom. The N–Br bond length is 1.83 Å. In the third N+1.67- site, N+1.67- is bonded in a 1-coordinate geometry to one Co4+ and one Br5+ atom. The N–Br bond length is 1.82 Å. Br5+ is bonded in a water-like geometry to two N+1.67- atoms.
DOI: 10.17188/1707936
title: Materials Data on Li7V3P8O29 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: 10.17188/1707937
title: Materials Data on Li3WN2 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: 10.17188/1707938
title: Materials Data on SrPAu by Materials Project

description: SrAuP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent Au1+ and six equivalent P3- atoms to form a mixture of edge and face-sharing SrP6Au6 cuboctahedra. All Sr–Au bond lengths are 3.31 Å. All Sr–P bond lengths are 3.31 Å. Au1+ is bonded in a 3-coordinate geometry to six equivalent Sr2+ and three equivalent P3- atoms. All Au–P bond lengths are 2.53 Å. P3- is bonded in a 3-coordinate geometry to six equivalent Sr2+ and three equivalent Au1+ atoms.
DOI: 10.17188/1707939
title: Materials Data on TbPRu2C by Materials Project

description: TbRu2CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb3+ is bonded in a 7-coordinate geometry to four equivalent C4- and three equivalent P3- atoms. All Tb–C bond lengths are 2.64 Å. There are one shorter (3.04 Å) and two longer (3.12 Å) Tb–P bond lengths. Ru2+ is bonded in a distorted single-bond geometry to one C4- and three equivalent P3- atoms. The Ru–C bond length is 1.87 Å. There are one shorter (2.43 Å) and two longer (2.46 Å) Ru–P bond lengths. C4- is bonded to four equivalent Tb3+ and two equivalent Ru2+ atoms to form a mixture of edge and corner-sharing CTb4Ru2 octahedra. The corner-sharing octahedral tilt angles are 22°. P3- is bonded in a 9-coordinate geometry to three equivalent Tb3+ and six equivalent Ru2+ atoms.
DOI: 10.17188/1707940
title: Materials Data on Mg14BC by Materials Project

description: Mg14BC crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are seven inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to eight Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.05–3.30 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.04–3.26 Å. In the third Mg site, Mg is bonded in an L-shaped geometry to two equivalent Mg, one B, and one C atom. Both Mg–Mg bond lengths are 2.87 Å. The Mg–B bond length is 2.36 Å. The Mg–C bond length is 2.25 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.00–3.35 Å. In the fifth Mg site, Mg is bonded in an L-shaped geometry to two equivalent Mg, one B, and one C atom. There are one shorter (3.16 Å) and one longer (3.40 Å) Mg–Mg bond lengths. The Mg–B bond length is 2.48 Å. The Mg–C bond length is 2.39 Å. In the sixth Mg site, Mg is bonded in a distorted single-bond geometry to five Mg and one B atom. Both Mg–Mg bond lengths are 3.31 Å. The Mg–B bond length is 2.75 Å. In the seventh Mg site, Mg is bonded in a 12-coordinate geometry to eleven Mg and one C atom. The Mg–C bond length is 2.85 Å. B is bonded in a 8-coordinate geometry to eight Mg atoms. C is bonded in a 6-coordinate geometry to eight Mg atoms.
DOI: 10.17188/1707942
title: Materials Data on Hf2Ga3Co by Materials Project

description: Hf2CoGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 12-coordinate geometry to three equivalent Co and nine Ga atoms. There are two shorter (2.99 Å) and one longer (3.00 Å) Hf–Co bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.82–3.02 Å. In the second Hf site, Hf is bonded in a 11-coordinate geometry to three equivalent Co and nine Ga atoms. There are one shorter (2.81 Å) and two longer (2.91 Å) Hf–Co bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.84–3.25 Å. Co is bonded in a 10-coordinate geometry to six Hf and four Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.36–2.53 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, one Co, and three Ga atoms. There are two shorter (2.52 Å) and one longer (2.80 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, two equivalent Co, and two Ga atoms. The Ga–Ga bond length is 2.57 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, one Co, and three Ga atoms.
DOI: 10.17188/1707943
title: Materials Data on Ca2AlFeO5 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: 10.17188/1707945
title: Materials Data on HfBi by Materials Project

description: HfBi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Hf–Bi bond distances ranging from 2.91–3.08 Å. In the second Hf site, Hf is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Hf–Bi bond distances ranging from 3.04–3.26 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to seven Hf atoms. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six Hf atoms.
DOI: 10.17188/1707946
title: Materials Data on Cr3Os by Materials Project

description: Cr3Os crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 8-coordinate geometry to two equivalent Cr and two equivalent Os atoms. Both Cr–Cr bond lengths are 2.40 Å. Both Cr–Os bond lengths are 2.58 Å. In the second Cr site, Cr is bonded in a distorted body-centered cubic geometry to eight Cr atoms. All Cr–Cr bond lengths are 2.58 Å. Os is bonded in a 4-coordinate geometry to four equivalent Cr atoms.
DOI: 10.17188/1707948
title: Materials Data on MnNb2Ru by Materials Project

description: Nb2MnRu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Nb2MnRu ribbons oriented in the (1, 0, 0) direction. Nb is bonded in a linear geometry to one Mn and one Ru atom. The Nb–Mn bond length is 2.18 Å. The Nb–Ru bond length is 2.23 Å. Mn is bonded in a linear geometry to two equivalent Nb atoms. Ru is bonded in a linear geometry to two equivalent Nb atoms.
DOI: 10.17188/1707949
title: Materials Data on EuZnGe by Materials Project

description: EuZnGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Ge atoms. There are three shorter (3.12 Å) and three longer (3.35 Å) Eu–Zn bond lengths. There are three shorter (3.09 Å) and three longer (3.39 Å) Eu–Ge bond lengths. Zn is bonded in a 3-coordinate geometry to six equivalent Eu and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.64 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Zn atoms.
DOI: 10.17188/1707950
title: Materials Data on BaMnSbF by Materials Project

description: BaMnSbF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent Sb3- and four equivalent F1- atoms. All Ba–Sb bond lengths are 3.74 Å. All Ba–F bond lengths are 2.72 Å. Mn2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing MnSb4 tetrahedra. All Mn–Sb bond lengths are 2.88 Å. Sb3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Mn2+ atoms. F1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra.
DOI: 10.17188/1707951
title: Materials Data on Li4Fe3Sn3(SbO8)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: 10.17188/1707952
title: Materials Data on La2MgS4 by Materials Project

description: MgLa2S4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded in a distorted square co-planar geometry to four equivalent S2- atoms. All Mg–S bond lengths are 2.65 Å. La3+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of La–S bond distances ranging from 2.82–3.27 Å. S2- is bonded in a 5-coordinate geometry to one Mg2+ and four equivalent La3+ atoms.
DOI: 10.17188/1707953
title: Materials Data on MoH4O5 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: 10.17188/1707954
title: Materials Data on NaCaN 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: 10.17188/1707955
title: Materials Data on LiFe4(BO3)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: 10.17188/1707956
title: Materials Data on Sr2GdCu2IrO8 by Materials Project

description: IrSr2GdCu2O8 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share corners with eight equivalent SrO12 cuboctahedra, faces with five equivalent SrO12 cuboctahedra, faces with four equivalent IrO6 octahedra, and faces with four equivalent CuO5 square pyramids. There are a spread of Sr–O bond distances ranging from 2.69–3.17 Å. Gd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.44 Å) and four longer (2.45 Å) Gd–O bond lengths. Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with four equivalent IrO6 octahedra, corners with two equivalent CuO5 square pyramids, and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of Ir–O bond distances ranging from 1.93–2.03 Å. Cu2+ is bonded to five O2- atoms to form CuO5 square pyramids that share a cornercorner with one IrO6 octahedra, corners with four equivalent CuO5 square pyramids, and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. There are four shorter (1.95 Å) and one longer (2.23 Å) Cu–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Gd3+, and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Gd3+, and two equivalent Cu2+ atoms. In the third O2- site, O2- is bonded to four equivalent Sr2+, one Ir5+, and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OSr4CuIr octahedra. The corner-sharing octahedra tilt angles range from 2–12°. In the fourth O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Ir5+ atoms.
DOI: 10.17188/1707958
title: Materials Data on CdCu3 by Materials Project

description: Cu3Cd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu is bonded to eight equivalent Cu and four equivalent Cd atoms to form CuCd4Cu8 cuboctahedra that share corners with twelve equivalent CuCd4Cu8 cuboctahedra, edges with eight equivalent CdCu12 cuboctahedra, edges with sixteen equivalent CuCd4Cu8 cuboctahedra, faces with four equivalent CdCu12 cuboctahedra, and faces with fourteen equivalent CuCd4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.71 Å. All Cu–Cd bond lengths are 2.71 Å. Cd is bonded to twelve equivalent Cu atoms to form CdCu12 cuboctahedra that share corners with twelve equivalent CdCu12 cuboctahedra, edges with twenty-four equivalent CuCd4Cu8 cuboctahedra, faces with six equivalent CdCu12 cuboctahedra, and faces with twelve equivalent CuCd4Cu8 cuboctahedra.
DOI: 10.17188/1707959
title: Materials Data on Fe4Bi2O9 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: 10.17188/1707960
title: Materials Data on Dy2SbO2 by Materials Project

description: Dy2SbO2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy3+ is bonded in a 4-coordinate geometry to four equivalent Sb2- and four equivalent O2- atoms. All Dy–Sb bond lengths are 3.51 Å. All Dy–O bond lengths are 2.23 Å. Sb2- is bonded in a body-centered cubic geometry to eight equivalent Dy3+ atoms. O2- is bonded to four equivalent Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra.
DOI: 10.17188/1707961
title: Materials Data on KNaNbOF5 by Materials Project

description: KNaNbOF5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to one O2- and seven F1- atoms. The K–O bond length is 2.91 Å. There are a spread of K–F bond distances ranging from 2.72–2.94 Å. Na1+ is bonded to one O2- and five F1- atoms to form NaOF5 octahedra that share corners with four equivalent NbOF5 octahedra and an edgeedge with one NbOF5 octahedra. The corner-sharing octahedra tilt angles range from 25–41°. The Na–O bond length is 2.37 Å. There are a spread of Na–F bond distances ranging from 2.25–2.48 Å. Nb5+ is bonded to one O2- and five F1- atoms to form NbOF5 octahedra that share corners with four equivalent NaOF5 octahedra and an edgeedge with one NaOF5 octahedra. The corner-sharing octahedra tilt angles range from 25–41°. The Nb–O bond length is 1.78 Å. There are a spread of Nb–F bond distances ranging from 1.98–2.16 Å. O2- is bonded in a 1-coordinate geometry to one K1+, one Na1+, and one Nb5+ atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one K1+, one Na1+, and one Nb5+ atom. In the second F1- site, F1- is bonded to two equivalent K1+, one Na1+, and one Nb5+ atom to form distorted corner-sharing FK2NaNb tetrahedra. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one K1+, one Na1+, and one Nb5+ atom. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+, one Na1+, and one Nb5+ atom. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to one K1+, one Na1+, and one Nb5+ atom.
DOI: 10.17188/1707962
title: Materials Data on NpI2O9 by Materials Project

description: NpO9I2 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two NpO9I2 sheets oriented in the (0, 0, 1) direction. Np is bonded in a distorted pentagonal bipyramidal geometry to seven O atoms. There are a spread of Np–O bond distances ranging from 1.80–2.41 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one I atom. The O–I bond length is 1.85 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Np and one I atom. The O–I bond length is 1.82 Å. In the third O site, O is bonded in a single-bond geometry to one Np atom. In the fourth O site, O is bonded in a single-bond geometry to one Np atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Np and one I atom. The O–I bond length is 1.88 Å. I is bonded in a 4-coordinate geometry to three O atoms.
DOI: 10.17188/1707963
title: Materials Data on UP2H6CO10 by Materials Project

description: (UCP2H6O9)2O2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional and consists of four water molecules and one UCP2H6O9 framework. In the UCP2H6O9 framework, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with four PCO3 tetrahedra. There are a spread of U–O bond distances ranging from 1.81–2.46 Å. C2- is bonded in a distorted tetrahedral geometry to two P5+ and two H1+ atoms. There is one shorter (1.81 Å) and one longer (1.82 Å) C–P bond length. Both C–H bond lengths are 1.10 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to one C2- and three O2- atoms to form PCO3 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids and a cornercorner with one PCO3 tetrahedra. There is two shorter (1.53 Å) and one longer (1.59 Å) P–O bond length. In the second P5+ site, P5+ is bonded to one C2- and three O2- atoms to form PCO3 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids and a cornercorner with one PCO3 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.59 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one U6+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one U6+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a water-like geometry to one U6+ and two H1+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one P5+ atom.