cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1262005
title: Materials Data on Mn2O2F9 by Materials Project

description: Mn2F9O2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of eight oxygen molecules and two Mn2F9 ribbons oriented in the (0, 0, 1) direction. In each Mn2F9 ribbon, there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six F atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 36–40°. There are a spread of Mn–F bond distances ranging from 1.78–1.93 Å. In the second Mn site, Mn is bonded to six F atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 36–40°. There are a spread of Mn–F bond distances ranging from 1.76–1.97 Å. There are nine inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Mn atom. In the second F site, F is bonded in a single-bond geometry to one Mn atom. In the third F site, F is bonded in a single-bond geometry to one Mn atom. In the fourth F site, F is bonded in a bent 150 degrees geometry to two Mn atoms. In the fifth F site, F is bonded in a bent 150 degrees geometry to two Mn atoms. In the sixth F site, F is bonded in a single-bond geometry to one Mn atom. In the seventh F site, F is bonded in a single-bond geometry to one Mn atom. In the eighth F site, F is bonded in a single-bond geometry to one Mn atom. In the ninth F site, F is bonded in a bent 150 degrees geometry to two Mn atoms.
DOI: 10.17188/1262006
title: Materials Data on LiMnP by Materials Project

description: LiMnP is Fluorite-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to four equivalent P3- atoms to form LiP4 tetrahedra that share corners with four equivalent LiP4 tetrahedra, corners with twelve equivalent MnP4 tetrahedra, edges with two equivalent MnP4 tetrahedra, and edges with four equivalent LiP4 tetrahedra. All Li–P bond lengths are 2.51 Å. Mn2+ is bonded to four equivalent P3- atoms to form MnP4 tetrahedra that share corners with four equivalent MnP4 tetrahedra, corners with twelve equivalent LiP4 tetrahedra, edges with two equivalent LiP4 tetrahedra, and edges with four equivalent MnP4 tetrahedra. All Mn–P bond lengths are 2.28 Å. P3- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Mn2+ atoms.
DOI: 10.17188/1262008
title: Materials Data on CsCoCl3 by Materials Project

description: CsCoCl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with six equivalent CsCl12 cuboctahedra, corners with six equivalent CoCl6 octahedra, faces with eight equivalent CsCl12 cuboctahedra, and faces with six equivalent CoCl6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are six shorter (3.68 Å) and six longer (3.77 Å) Cs–Cl bond lengths. Co2+ is bonded to six equivalent Cl1- atoms to form CoCl6 octahedra that share corners with six equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with two equivalent CoCl6 octahedra. All Co–Cl bond lengths are 2.44 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent Co2+ atoms.
DOI: 10.17188/1262009
title: Materials Data on CoCuO2 by Materials Project

description: CuCoO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Co2+ is bonded to six equivalent O2- atoms to form edge-sharing CoO6 octahedra. All Co–O bond lengths are 1.92 Å. Cu2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.85 Å. O2- is bonded to three equivalent Co2+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OCo3Cu trigonal pyramids.
DOI: 10.17188/1262010
title: Materials Data on BaTiO3 by Materials Project

description: BaTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one titanium molecule and one BaO3 framework. In the BaO3 framework, Ba2+ is bonded to six equivalent O2- atoms to form corner-sharing BaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–O bond lengths are 2.32 Å. O2- is bonded in a linear geometry to two equivalent Ba2+ atoms.
DOI: 10.17188/1262021
title: Materials Data on Ba2NiWO6 by Materials Project

description: Ba2NiWO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent WO6 octahedra, and faces with four equivalent NiO6 octahedra. All Ba–O bond lengths are 2.90 Å. W6+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 1.96 Å. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent WO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 2.14 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one W6+, and one Ni2+ atom.
DOI: 10.17188/1262022
title: Materials Data on EuBrO by Materials Project

description: EuOBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one EuOBr sheet oriented in the (0, 0, 1) direction. Eu3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Eu–O bond lengths are 2.32 Å. All Eu–Br bond lengths are 3.23 Å. O2- is bonded to four equivalent Eu3+ atoms to form a mixture of corner and edge-sharing OEu4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent Eu3+ atoms.
DOI: 10.17188/1262024
title: Materials Data on Cs2PdF6 by Materials Project

description: Cs2PdF6 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, and faces with four equivalent PdF6 octahedra. All Cs–F bond lengths are 3.28 Å. Pd4+ is bonded to six equivalent F1- atoms to form PdF6 octahedra that share faces with eight equivalent CsF12 cuboctahedra. All Pd–F bond lengths are 1.96 Å. F1- is bonded in a single-bond geometry to four equivalent Cs1+ and one Pd4+ atom.
DOI: 10.17188/1262025
title: Materials Data on EuF2 by Materials Project

description: EuF2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu2+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Eu–F bond lengths are 2.55 Å. F1- is bonded to four equivalent Eu2+ atoms to form a mixture of edge and corner-sharing FEu4 tetrahedra.
DOI: 10.17188/1262026
title: Materials Data on Ti3Fe3O (SG:227) 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: 10.17188/1262027
title: Materials Data on Eu(Al4Fe)2 by Materials Project

description: Al8Fe2Eu crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Eu is bonded in a 11-coordinate geometry to thirteen Al atoms. There are a spread of Eu–Al bond distances ranging from 3.15–3.35 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Fe–Al bond distances ranging from 2.37–2.59 Å. In the second Fe site, Fe is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Fe–Al bond distances ranging from 2.35–2.57 Å. There are nine inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Eu, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–3.02 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Eu, two equivalent Fe, and eight Al atoms. All Al–Al bond lengths are 2.89 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to four equivalent Fe and four Al atoms. There are two shorter (2.64 Å) and two longer (2.65 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Eu, two equivalent Fe, and three Al atoms. There are one shorter (2.72 Å) and one longer (2.73 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Eu, two equivalent Fe, and six Al atoms. There are one shorter (2.71 Å) and two longer (2.84 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Eu, two equivalent Fe, and five Al atoms. There are one shorter (2.73 Å) and two longer (2.83 Å) Al–Al bond lengths. In the seventh Al site, Al is bonded in a 1-coordinate geometry to three Fe and two equivalent Al atoms. Both Al–Al bond lengths are 3.02 Å. In the eighth Al site, Al is bonded in a distorted linear geometry to two equivalent Eu, two Fe, and six Al atoms. In the ninth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Eu, two equivalent Fe, and eight Al atoms.
DOI: 10.17188/1262028
title: Materials Data on Hf(FeSi)2 by Materials Project

description: Hf(FeSi)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Hf4+ is bonded in a 6-coordinate geometry to eight Si4- atoms. There are a spread of Hf–Si bond distances ranging from 2.70–3.07 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Fe–Si bond distances ranging from 2.28–2.40 Å. In the second Fe2+ site, Fe2+ is bonded in a 7-coordinate geometry to two equivalent Fe2+ and five Si4- atoms. Both Fe–Fe bond lengths are 2.51 Å. There are a spread of Fe–Si bond distances ranging from 2.38–2.48 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Hf4+ and five Fe2+ atoms. In the second Si4- site, Si4- is bonded in a 11-coordinate geometry to four equivalent Hf4+, five Fe2+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.51 Å.
DOI: 10.17188/1262029
title: Materials Data on Pr8Ga3Co by Materials Project

description: Pr8CoGa3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Pr sites. In the first Pr site, Pr is bonded in a 4-coordinate geometry to one Co and four equivalent Ga atoms. The Pr–Co bond length is 3.02 Å. There are a spread of Pr–Ga bond distances ranging from 3.08–3.80 Å. In the second Pr site, Pr is bonded in a distorted tetrahedral geometry to one Co and three equivalent Ga atoms. The Pr–Co bond length is 2.69 Å. All Pr–Ga bond lengths are 3.26 Å. In the third Pr site, Pr is bonded in a 3-coordinate geometry to one Co and four equivalent Ga atoms. The Pr–Co bond length is 2.87 Å. There are two shorter (3.28 Å) and two longer (3.91 Å) Pr–Ga bond lengths. In the fourth Pr site, Pr is bonded in a 6-coordinate geometry to six equivalent Ga atoms. There are three shorter (3.47 Å) and three longer (3.51 Å) Pr–Ga bond lengths. Co is bonded in a 7-coordinate geometry to seven Pr atoms. Ga is bonded in a 11-coordinate geometry to eleven Pr atoms.
DOI: 10.17188/1262030
title: Materials Data on Cu5As2 by Materials Project

description: Cu5As2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Cu+1.20+ sites. In the first Cu+1.20+ site, Cu+1.20+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent As3- atoms. There are a spread of Cu–As bond distances ranging from 2.49–2.80 Å. In the second Cu+1.20+ site, Cu+1.20+ is bonded to four equivalent As3- atoms to form a mixture of distorted edge and corner-sharing CuAs4 tetrahedra. All Cu–As bond lengths are 2.55 Å. In the third Cu+1.20+ site, Cu+1.20+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing CuAs4 tetrahedra. There are a spread of Cu–As bond distances ranging from 2.53–2.62 Å. As3- is bonded in a 10-coordinate geometry to ten Cu+1.20+ atoms.
DOI: 10.17188/1262031
title: Materials Data on V2Cu3O8 by Materials Project

description: Cu3V2O8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.70–1.81 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.91–1.96 Å. In the second Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.93 Å) and two longer (1.95 Å) Cu–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V5+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to one V5+ and two Cu2+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Cu2+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Cu2+ atom.
DOI: 10.17188/1262037
title: Materials Data on P3Pb5ClO12 by Materials Project

description: Pb5(PO4)3Cl crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.63–2.92 Å. In the second Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- and two equivalent Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.41–2.69 Å. Both Pb–Cl bond lengths are 3.17 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.58 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one P5+ atom. Cl1- is bonded to six equivalent Pb2+ atoms to form distorted face-sharing ClPb6 octahedra.
DOI: 10.17188/1262038
title: Materials Data on AsHPbO4 by Materials Project

description: PbHAsO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.42–2.86 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.72 Å) and two longer (1.74 Å) As–O bond length. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.21 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pb2+, one As5+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one As5+ atom.
DOI: 10.17188/1262039
title: Materials Data on Fe3BO5 by Materials Project

description: Fe3BO5 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are five inequivalent Fe+2.33+ sites. In the first Fe+2.33+ site, Fe+2.33+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 61–66°. There are a spread of Fe–O bond distances ranging from 2.00–2.27 Å. In the second Fe+2.33+ site, Fe+2.33+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are two shorter (2.12 Å) and four longer (2.17 Å) Fe–O bond lengths. In the third Fe+2.33+ site, Fe+2.33+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are four shorter (2.07 Å) and two longer (2.08 Å) Fe–O bond lengths. In the fourth Fe+2.33+ site, Fe+2.33+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 66°. There are two shorter (2.08 Å) and four longer (2.25 Å) Fe–O bond lengths. In the fifth Fe+2.33+ site, Fe+2.33+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are four shorter (2.05 Å) and two longer (2.11 Å) Fe–O bond lengths. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.38–1.40 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Fe+2.33+ and one B3+ atom. In the second O2- site, O2- is bonded to four Fe+2.33+ atoms to form OFe4 tetrahedra that share a cornercorner with one OFe5 square pyramid, corners with five equivalent OFe4 tetrahedra, and an edgeedge with one OFe4 tetrahedra. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Fe+2.33+ and one B3+ atom. In the fourth O2- site, O2- is bonded to five Fe+2.33+ atoms to form OFe5 square pyramids that share corners with four equivalent OFe5 square pyramids, a cornercorner with one OFe4 tetrahedra, and edges with four equivalent OFe5 square pyramids. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Fe+2.33+ and one B3+ atom.
DOI: 10.17188/1262040
title: Materials Data on Cu12As4S13 by Materials Project

description: Cu12As4S13 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Cu+1.17+ sites. In the first Cu+1.17+ site, Cu+1.17+ is bonded to four equivalent S2- atoms to form corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.30 Å. In the second Cu+1.17+ site, Cu+1.17+ is bonded in a trigonal planar geometry to three S2- atoms. There are two shorter (2.24 Å) and one longer (2.26 Å) Cu–S bond lengths. As3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent S2- atoms. All As–S bond lengths are 2.30 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three Cu+1.17+ and one As3+ atom to form SCu3As tetrahedra that share a cornercorner with one SCu6 octahedra and corners with nine equivalent SCu3As tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second S2- site, S2- is bonded to six equivalent Cu+1.17+ atoms to form corner-sharing SCu6 octahedra.
DOI: 10.17188/1262041
title: Materials Data on Li10Pb3 by Materials Project

description: Li10Pb3 crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are seven inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to three equivalent Pb atoms. All Li–Pb bond lengths are 2.99 Å. In the second Li site, Li is bonded in a distorted q6 geometry to twelve Li atoms. There are a spread of Li–Li bond distances ranging from 2.97–3.10 Å. In the third Li site, Li is bonded in a distorted trigonal planar geometry to three equivalent Pb atoms. All Li–Pb bond lengths are 2.87 Å. In the fourth Li site, Li is bonded in a 3-coordinate geometry to three equivalent Li and three equivalent Pb atoms. All Li–Pb bond lengths are 2.88 Å. In the fifth Li site, Li is bonded in a 4-coordinate geometry to four equivalent Pb atoms. All Li–Pb bond lengths are 3.21 Å. In the sixth Li site, Li is bonded in a 2-coordinate geometry to two equivalent Li and four equivalent Pb atoms. There are two shorter (2.88 Å) and two longer (3.20 Å) Li–Pb bond lengths. In the seventh Li site, Li is bonded in a 4-coordinate geometry to one Li and four equivalent Pb atoms. There are two shorter (2.99 Å) and two longer (3.02 Å) Li–Pb bond lengths. Pb is bonded in a 11-coordinate geometry to eleven Li atoms.
DOI: 10.17188/1262042
title: Materials Data on CuN3 by Materials Project

description: CuN3 crystallizes in the tetragonal I4_1/a space group. The structure is one-dimensional and consists of eight CuN3 ribbons oriented in the (0, 0, 1) direction. Cu1+ is bonded in a linear geometry to two equivalent N+0.33- atoms. Both Cu–N bond lengths are 1.84 Å. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms. Both N–N bond lengths are 1.18 Å. In the second N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to one Cu1+ and one N+0.33- atom.
DOI: 10.17188/1262043
title: Materials Data on N2O5 by Materials Project

description: N2O5 crystallizes in the hexagonal P6_3/mmc space group. The structure is zero-dimensional and consists of two hydroxylamine, n-hydroxy- molecules and two nitric acid molecules.
DOI: 10.17188/1262044
title: Materials Data on LaCo8P5 by Materials Project

description: LaCo8P5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight P3- atoms. There are four shorter (3.09 Å) and four longer (3.16 Å) La–P bond lengths. There are five inequivalent Co+1.50+ sites. In the first Co+1.50+ site, Co+1.50+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.15–2.23 Å. In the second Co+1.50+ site, Co+1.50+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.17–2.25 Å. In the third Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Co–P bond distances ranging from 2.19–2.51 Å. In the fourth Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five P3- atoms. There are one shorter (2.17 Å) and four longer (2.32 Å) Co–P bond lengths. In the fifth Co+1.50+ site, Co+1.50+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. There are two shorter (2.28 Å) and two longer (2.33 Å) Co–P bond lengths. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 6-coordinate geometry to two equivalent La3+ and six Co+1.50+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent La3+ and seven Co+1.50+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to nine Co+1.50+ atoms.