cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1749414
title: Materials Data on NaO2 by Materials Project

description: NaO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Na sites. In the first Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.73 Å. In the second Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.72 Å. In the third Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.73 Å. In the fourth Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.73 Å. In the fifth Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.73 Å. In the sixth Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.73 Å. In the seventh Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.74 Å. In the eighth Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.74 Å. There are sixteen inequivalent O sites. In the first O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.37 Å. In the second O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.37 Å. In the third O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.37 Å. In the fourth O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.36 Å. In the fifth O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.36 Å. In the sixth O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.36 Å. In the seventh O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.37 Å. In the eighth O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.36 Å. In the ninth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the tenth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the eleventh O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the twelfth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the thirteenth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the fourteenth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the fifteenth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the sixteenth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom.
DOI: 10.17188/1749415
title: Materials Data on Ti2IrRu by Materials Project

description: Ti2RuIr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Ir atoms. All Ti–Ru bond lengths are 2.69 Å. All Ti–Ir bond lengths are 2.69 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Ti atoms. Ir is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1749416
title: Materials Data on TbNiBi by Materials Project

description: TbNiBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Bi atoms. All Tb–Ni bond lengths are 2.81 Å. All Tb–Bi bond lengths are 3.25 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.81 Å. Bi is bonded in a distorted q6 geometry to six equivalent Tb and four equivalent Ni atoms.
DOI: 10.17188/1749417
title: Materials Data on Ho4SiGe3 by Materials Project

description: Ho4Ge3Si crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 5-coordinate geometry to six Ge and one Si atom. There are four shorter (2.96 Å) and two longer (3.21 Å) Ho–Ge bond lengths. The Ho–Si bond length is 2.95 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to five Ge and two equivalent Si atoms. There are one shorter (2.95 Å) and four longer (2.96 Å) Ho–Ge bond lengths. Both Ho–Si bond lengths are 3.17 Å. In the third Ho site, Ho is bonded in a 5-coordinate geometry to three Ge and four equivalent Si atoms. There are one shorter (2.95 Å) and two longer (3.17 Å) Ho–Ge bond lengths. All Ho–Si bond lengths are 2.96 Å. In the fourth Ho site, Ho is bonded in a 5-coordinate geometry to seven Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.95–3.20 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to seven Ho and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.67 Å. In the second Ge site, Ge is bonded in a 5-coordinate geometry to seven Ho and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho and two equivalent Si atoms. Both Ge–Si bond lengths are 2.63 Å. Si is bonded in a 9-coordinate geometry to seven Ho and two equivalent Ge atoms.
DOI: 10.17188/1749418
title: Materials Data on SbPbIO2 by Materials Project

description: PbSbO2I crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two PbSbO2I sheets oriented in the (0, 0, 1) direction. Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent I1- atoms. All Pb–O bond lengths are 2.48 Å. All Pb–I bond lengths are 3.51 Å. Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.20 Å. O2- is bonded to two equivalent Pb2+ and two equivalent Sb3+ atoms to form a mixture of edge and corner-sharing OSb2Pb2 tetrahedra. I1- is bonded in a 12-coordinate geometry to four equivalent Pb2+ atoms.
DOI: 10.17188/1749419
title: Materials Data on Mn4Fe8SiGe3 by Materials Project

description: Mn4Fe8Ge3Si is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Fe and three equivalent Ge atoms. There are a spread of Mn–Fe bond distances ranging from 2.46–2.51 Å. All Mn–Ge bond lengths are 2.84 Å. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Fe, three equivalent Ge, and three equivalent Si atoms. There are a spread of Mn–Fe bond distances ranging from 2.40–2.48 Å. All Mn–Ge bond lengths are 2.84 Å. All Mn–Si bond lengths are 2.84 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a body-centered cubic geometry to four Mn and four Ge atoms. There are three shorter (2.46 Å) and one longer (2.47 Å) Fe–Ge bond lengths. In the second Fe site, Fe is bonded in a body-centered cubic geometry to four equivalent Mn and four Ge atoms. There are three shorter (2.46 Å) and one longer (2.49 Å) Fe–Ge bond lengths. In the third Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Mn, one Ge, and three equivalent Si atoms. The Fe–Ge bond length is 2.50 Å. All Fe–Si bond lengths are 2.44 Å. In the fourth Fe site, Fe is bonded in a body-centered cubic geometry to four Mn, three equivalent Ge, and one Si atom. All Fe–Ge bond lengths are 2.48 Å. The Fe–Si bond length is 2.40 Å. In the fifth Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Mn, one Ge, and three equivalent Si atoms. There are one shorter (2.40 Å) and three longer (2.48 Å) Fe–Mn bond lengths. The Fe–Ge bond length is 2.50 Å. All Fe–Si bond lengths are 2.44 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted body-centered cubic geometry to six Mn and eight Fe atoms. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to eight Fe atoms. Si is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight Fe atoms.
DOI: 10.17188/1749420
title: Materials Data on Se(NCl3)2 by Materials Project

description: N2SeCl6 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight ammonia molecules and four SeCl6 clusters. In each SeCl6 cluster, Se2- is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Se–Cl bond lengths are 2.31 Å. Cl1- is bonded in a single-bond geometry to one Se2- atom.
DOI: 10.17188/1749422
title: Materials Data on TiCrAgS4 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: 10.17188/1749423
title: Materials Data on Li3Fe8(BO3)8 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: 10.17188/1749424
title: Materials Data on KNa2NiO2 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: 10.17188/1749425
title: Materials Data on Li3Mn5O2F9 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: 10.17188/1749426
title: Materials Data on U2CN by Materials Project

description: U2CN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U+3.50+ is bonded to three equivalent C4- and three equivalent N3- atoms to form a mixture of edge and corner-sharing UC3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–C bond lengths are 2.47 Å. All U–N bond lengths are 2.45 Å. C4- is bonded to six equivalent U+3.50+ atoms to form CU6 octahedra that share corners with six equivalent NU6 octahedra, edges with six equivalent CU6 octahedra, and edges with six equivalent NU6 octahedra. The corner-sharing octahedral tilt angles are 1°. N3- is bonded to six equivalent U+3.50+ atoms to form NU6 octahedra that share corners with six equivalent CU6 octahedra, edges with six equivalent CU6 octahedra, and edges with six equivalent NU6 octahedra. The corner-sharing octahedral tilt angles are 1°.
DOI: 10.17188/1749427
title: Materials Data on Y2Hf2(MoO4)7 by Materials Project

description: Y2Hf2(MoO4)7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.28–2.47 Å. Hf4+ is bonded to six O2- atoms to form HfO6 octahedra that share corners with six MoO4 tetrahedra. There are a spread of Hf–O bond distances ranging from 2.05–2.10 Å. There are four inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent HfO6 octahedra. The corner-sharing octahedra tilt angles range from 24–35°. There are a spread of Mo–O bond distances ranging from 1.75–1.84 Å. In the second Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent HfO6 octahedra. The corner-sharing octahedra tilt angles range from 17–37°. There are a spread of Mo–O bond distances ranging from 1.77–1.84 Å. In the third Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share a cornercorner with one HfO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Mo–O bond distances ranging from 1.77–1.86 Å. In the fourth Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent HfO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There is two shorter (1.77 Å) and two longer (1.83 Å) Mo–O bond length. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Hf4+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Hf4+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Y3+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Y3+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Hf4+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Y3+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Y3+ and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one Hf4+ and one Mo6+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Y3+ and one Mo6+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Hf4+ and one Mo6+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Y3+ and one Mo6+ atom. In the twelfth O2- site, O2- is bonded in a distorted linear geometry to one Y3+ and one Mo6+ atom. In the thirteenth O2- site, O2- is bonded in a distorted linear geometry to one Y3+ and one Mo6+ atom. In the fourteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Hf4+ and one Mo6+ atom.
DOI: 10.17188/1749428
title: Materials Data on Li2MnF4 by Materials Project

description: Li2MnF4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with six equivalent LiF6 octahedra, edges with four equivalent LiF6 octahedra, and edges with four equivalent MnF6 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. There are a spread of Li–F bond distances ranging from 2.09–2.26 Å. Mn2+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with four equivalent MnF6 octahedra and edges with eight equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.10 Å) and two longer (2.14 Å) Mn–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Li1+ and one Mn2+ atom to form a mixture of corner and edge-sharing FLi4Mn square pyramids. In the second F1- site, F1- is bonded in a square co-planar geometry to two equivalent Li1+ and two equivalent Mn2+ atoms.
DOI: 10.17188/1749430
title: Materials Data on CaMn3V4O12 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: 10.17188/1749431
title: Materials Data on Ni2(SO4)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: 10.17188/1749433
title: Materials Data on ZrAu by Materials Project

description: ZrAu is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Zr is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms. All Zr–Au bond lengths are 3.02 Å. Au is bonded in a distorted body-centered cubic geometry to eight equivalent Zr atoms.
DOI: 10.17188/1749434
title: Materials Data on Tb2CI by Materials Project

description: Tb2CI is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to three equivalent C and three equivalent I atoms to form a mixture of distorted face, edge, and corner-sharing TbC3I3 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. All Tb–C bond lengths are 2.53 Å. All Tb–I bond lengths are 3.27 Å. C is bonded to six equivalent Tb atoms to form edge-sharing CTb6 octahedra. I is bonded in a 6-coordinate geometry to six equivalent Tb atoms.
DOI: 10.17188/1749435
title: Materials Data on LaMnO3 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: 10.17188/1749436
title: Materials Data on Li4Mn3CoO8 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: 10.17188/1749440
title: Materials Data on Li2Mn(SO4)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: 10.17188/1749442
title: Materials Data on Li5Mn8(BO3)8 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: 10.17188/1749443
title: Materials Data on Li4Mn3V3(WO8)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: 10.17188/1749444
title: Materials Data on YScFe4 by Materials Project

description: YScFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Sc and twelve equivalent Fe atoms. All Y–Sc bond lengths are 3.08 Å. All Y–Fe bond lengths are 2.95 Å. Sc is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Fe atoms. All Sc–Fe bond lengths are 2.95 Å. Fe is bonded to three equivalent Y, three equivalent Sc, and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FeY3Sc3Fe6 cuboctahedra. There are three shorter (2.51 Å) and three longer (2.53 Å) Fe–Fe bond lengths.
DOI: 10.17188/1749445
title: Materials Data on Rb2NdAgF6 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: 10.17188/1749446
title: Materials Data on Mn2NiSb2Pt by Materials Project

description: Mn2PtNiSb2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 1-coordinate geometry to one Pt2- and six Sb2- atoms. The Mn–Pt bond length is 2.72 Å. There are three shorter (2.92 Å) and three longer (3.00 Å) Mn–Sb bond lengths. In the second Mn2+ site, Mn2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pt2- and six Sb2- atoms. All Mn–Pt bond lengths are 2.64 Å. There are three shorter (3.03 Å) and three longer (3.15 Å) Mn–Sb bond lengths. Pt2- is bonded in a body-centered cubic geometry to four Mn2+ and four Sb2- atoms. There are three shorter (2.67 Å) and one longer (2.70 Å) Pt–Sb bond lengths. Ni2+ is bonded to four Sb2- atoms to form distorted corner-sharing NiSb4 tetrahedra. There are one shorter (2.52 Å) and three longer (2.58 Å) Ni–Sb bond lengths. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 10-coordinate geometry to six Mn2+, three equivalent Pt2-, and one Ni2+ atom. In the second Sb2- site, Sb2- is bonded in a 10-coordinate geometry to six Mn2+, one Pt2-, and three equivalent Ni2+ atoms.
DOI: 10.17188/1749447
title: Materials Data on LiCo2(PO4)2 by Materials Project

description: LiCo2(PO4)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four CoO4 tetrahedra and corners with four PO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.03–2.08 Å. There are two inequivalent Co+2.50+ sites. In the first Co+2.50+ site, Co+2.50+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra and corners with four PO4 tetrahedra. There is two shorter (1.83 Å) and two longer (1.91 Å) Co–O bond length. In the second Co+2.50+ site, Co+2.50+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra and corners with four PO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.96–2.03 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 two equivalent LiO4 tetrahedra and corners with four CoO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.59 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra and corners with four CoO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.59 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co+2.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Co+2.50+, and one P5+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Co+2.50+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Co+2.50+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Co+2.50+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Co+2.50+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co+2.50+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one Co+2.50+ and one P5+ atom.