cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1753581
title: Materials Data on La3Ho by Materials Project

description: HoLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded to twelve La atoms to form HoLa12 cuboctahedra that share corners with four equivalent HoLa12 cuboctahedra, corners with eight equivalent LaLa8Ho4 cuboctahedra, edges with eight equivalent HoLa12 cuboctahedra, edges with sixteen equivalent LaLa8Ho4 cuboctahedra, faces with four equivalent HoLa12 cuboctahedra, and faces with fourteen LaLa8Ho4 cuboctahedra. There are four shorter (3.70 Å) and eight longer (3.71 Å) Ho–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Ho and eight La atoms to form LaLa8Ho4 cuboctahedra that share corners with twelve equivalent LaLa8Ho4 cuboctahedra, edges with eight equivalent HoLa12 cuboctahedra, edges with sixteen LaLa8Ho4 cuboctahedra, faces with four equivalent HoLa12 cuboctahedra, and faces with fourteen LaLa8Ho4 cuboctahedra. There are four shorter (3.70 Å) and four longer (3.71 Å) La–La bond lengths. In the second La site, La is bonded to four equivalent Ho and eight equivalent La atoms to form LaLa8Ho4 cuboctahedra that share corners with four equivalent LaLa8Ho4 cuboctahedra, corners with eight equivalent HoLa12 cuboctahedra, edges with twenty-four LaLa8Ho4 cuboctahedra, faces with six equivalent HoLa12 cuboctahedra, and faces with twelve LaLa8Ho4 cuboctahedra.
DOI: 10.17188/1753583
title: Materials Data on Li4Ni3SbO8 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: 10.17188/1753584
title: Materials Data on Cs(MoS)9 by Materials Project

description: Cs(MoS)9 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to nine S atoms. There are three shorter (3.65 Å) and six longer (3.68 Å) Cs–S bond lengths. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.50–2.55 Å. In the second Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are two shorter (2.50 Å) and two longer (2.54 Å) Mo–S bond lengths. There are two inequivalent S sites. In the first S site, S is bonded in a 5-coordinate geometry to one Cs and four Mo atoms. In the second S site, S is bonded in a distorted pentagonal planar geometry to one Cs and four Mo atoms.
DOI: 10.17188/1753585
title: Materials Data on FePtO2 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: 10.17188/1753586
title: Materials Data on C12BrF9 by Materials Project

description: (C)2BrC(CF)9 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight bromomethane molecules, seventy-two fluoromethane molecules, and sixteen methane molecules.
DOI: 10.17188/1753587
title: Materials Data on TiCrO4 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: 10.17188/1753588
title: Materials Data on Li2PtF6 by Materials Project

description: Li2PtF6 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent PtF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one PtF6 octahedra. The corner-sharing octahedra tilt angles range from 46–54°. There are a spread of Li–F bond distances ranging from 2.02–2.12 Å. Pt4+ is bonded to six F1- atoms to form PtF6 octahedra that share corners with eight equivalent LiF6 octahedra and edges with two equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 46–50°. All Pt–F bond lengths are 1.98 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Pt4+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Pt4+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Pt4+ atom.
DOI: 10.17188/1753589
title: Materials Data on ErCuNi by Materials Project

description: ErNiCu is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Cu atoms. All Er–Ni bond lengths are 2.99 Å. There are two shorter (3.00 Å) and four longer (3.03 Å) Er–Cu bond lengths. Ni is bonded to six equivalent Er, two equivalent Ni, and four equivalent Cu atoms to form NiEr6Cu4Ni2 cuboctahedra that share corners with eight equivalent CuEr6Cu2Ni4 cuboctahedra, corners with ten equivalent NiEr6Cu4Ni2 cuboctahedra, edges with six equivalent NiEr6Cu4Ni2 cuboctahedra, faces with six equivalent NiEr6Cu4Ni2 cuboctahedra, and faces with twelve equivalent CuEr6Cu2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.61 Å. All Ni–Cu bond lengths are 2.56 Å. Cu is bonded to six equivalent Er, four equivalent Ni, and two equivalent Cu atoms to form CuEr6Cu2Ni4 cuboctahedra that share corners with eight equivalent NiEr6Cu4Ni2 cuboctahedra, corners with ten equivalent CuEr6Cu2Ni4 cuboctahedra, edges with six equivalent CuEr6Cu2Ni4 cuboctahedra, faces with six equivalent CuEr6Cu2Ni4 cuboctahedra, and faces with twelve equivalent NiEr6Cu4Ni2 cuboctahedra. Both Cu–Cu bond lengths are 2.54 Å.
DOI: 10.17188/1753590
title: Materials Data on Y6Ti4Al43 by Materials Project

description: Y6Ti4Al43 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to one Y, one Ti, and fifteen Al atoms. The Y–Y bond length is 3.51 Å. The Y–Ti bond length is 3.50 Å. There are a spread of Y–Al bond distances ranging from 3.09–3.48 Å. There are two inequivalent Ti sites. In the first Ti site, Ti is bonded to twelve Al atoms to form TiAl12 cuboctahedra that share edges with six equivalent AlTi2Al10 cuboctahedra. There are six shorter (2.70 Å) and six longer (2.87 Å) Ti–Al bond lengths. In the second Ti site, Ti is bonded in a 12-coordinate geometry to two equivalent Y and ten Al atoms. There are a spread of Ti–Al bond distances ranging from 2.62–2.72 Å. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to one Y, two Ti, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.76–3.02 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Y, one Ti, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.76–3.01 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to four equivalent Y and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.79–3.12 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Y, one Ti, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–3.04 Å. In the fifth Al site, Al is bonded in a 10-coordinate geometry to two equivalent Y, one Ti, and seven Al atoms. There are two shorter (2.83 Å) and one longer (2.89 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded to two equivalent Ti and ten Al atoms to form distorted AlTi2Al10 cuboctahedra that share corners with four equivalent AlY3Al9 cuboctahedra, edges with two equivalent TiAl12 cuboctahedra, and faces with two equivalent AlTi2Al10 cuboctahedra. Both Al–Al bond lengths are 2.82 Å. In the seventh Al site, Al is bonded to three equivalent Y and nine Al atoms to form AlY3Al9 cuboctahedra that share corners with six AlTi2Al10 cuboctahedra and faces with two equivalent AlY3Al9 cuboctahedra.
DOI: 10.17188/1753591
title: Materials Data on LaCe by Materials Project

description: CeLa is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded to six equivalent Ce and six equivalent La atoms to form CeLa6Ce6 cuboctahedra that share corners with twelve CeLa6Ce6 cuboctahedra, edges with twelve CeLa6Ce6 cuboctahedra, edges with twelve equivalent LaLa6Ce6 cuboctahedra, faces with six equivalent CeLa6Ce6 cuboctahedra, and faces with twelve equivalent LaLa6Ce6 cuboctahedra. All Ce–Ce bond lengths are 3.55 Å. All Ce–La bond lengths are 3.59 Å. In the second Ce site, Ce is bonded to six equivalent Ce and six La atoms to form CeLa6Ce6 cuboctahedra that share corners with five equivalent LaLa10Ce6 cuboctahedra, corners with twelve CeLa6Ce6 cuboctahedra, edges with ten LaLa6Ce6 cuboctahedra, edges with twelve CeLa6Ce6 cuboctahedra, faces with six equivalent CeLa6Ce6 cuboctahedra, and faces with fifteen LaLa6Ce6 cuboctahedra. All Ce–Ce bond lengths are 3.55 Å. All Ce–La bond lengths are 3.59 Å. In the third Ce site, Ce is bonded to six equivalent Ce and six La atoms to form CeLa6Ce6 cuboctahedra that share corners with five equivalent LaLa10Ce6 cuboctahedra, corners with twelve CeLa6Ce6 cuboctahedra, edges with ten LaLa6Ce6 cuboctahedra, edges with twelve CeLa6Ce6 cuboctahedra, faces with six equivalent CeLa6Ce6 cuboctahedra, and faces with fifteen LaLa6Ce6 cuboctahedra. All Ce–Ce bond lengths are 3.55 Å. All Ce–La bond lengths are 3.59 Å. There are two inequivalent La sites. In the first La site, La is bonded to six Ce and six equivalent La atoms to form LaLa6Ce6 cuboctahedra that share corners with twelve LaLa6Ce6 cuboctahedra, edges with twelve CeLa6Ce6 cuboctahedra, edges with twelve LaLa6Ce6 cuboctahedra, faces with six equivalent LaLa6Ce6 cuboctahedra, and faces with twelve CeLa6Ce6 cuboctahedra. All La–La bond lengths are 3.55 Å. In the second La site, La is bonded to six Ce and ten equivalent La atoms to form LaLa10Ce6 cuboctahedra that share corners with ten CeLa6Ce6 cuboctahedra, corners with twelve LaLa6Ce6 cuboctahedra, edges with eight CeLa6Ce6 cuboctahedra, edges with sixteen LaLa6Ce6 cuboctahedra, faces with sixteen equivalent LaLa10Ce6 cuboctahedra, and faces with eighteen CeLa6Ce6 cuboctahedra. There are a spread of La–La bond distances ranging from 3.55–7.11 Å.
DOI: 10.17188/1753592
title: Materials Data on HW2C9NO10 by Materials Project

description: W2HW2H(NO)2(CO)18 crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of thirty-six formaldehyde molecules, two W2H clusters, and two W2H(NO)2 clusters. In each W2H cluster, W5+ is bonded in a single-bond geometry to one H1+ atom. The W–H bond length is 1.92 Å. H1+ is bonded in a bent 120 degrees geometry to two equivalent W5+ atoms. In each W2H(NO)2 cluster, W5+ is bonded in a linear geometry to one N3- and one H1+ atom. The W–N bond length is 1.90 Å. The W–H bond length is 1.95 Å. N3- is bonded in a linear geometry to one W5+ and one O2- atom. The N–O bond length is 1.17 Å. H1+ is bonded in a bent 120 degrees geometry to two equivalent W5+ atoms. O2- is bonded in a single-bond geometry to one N3- atom.
DOI: 10.17188/1753593
title: Materials Data on Er5Ge3C by Materials Project

description: Er5Ge3C crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six equivalent Ge atoms. All Er–Ge bond lengths are 3.02 Å. In the second Er site, Er is bonded in a 2-coordinate geometry to five equivalent Ge and two equivalent C atoms. There are a spread of Er–Ge bond distances ranging from 2.98–3.57 Å. Both Er–C bond lengths are 2.46 Å. Ge is bonded in a 9-coordinate geometry to nine Er atoms. C is bonded to six equivalent Er atoms to form face-sharing CEr6 octahedra.
DOI: 10.17188/1753594
title: Materials Data on CuAs2 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: 10.17188/1753595
title: Materials Data on Li8AsO3 by Materials Project

description: Li8AsO3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded to one As2- and three equivalent O2- atoms to form a mixture of distorted edge and corner-sharing LiAsO3 tetrahedra. The Li–As bond length is 2.37 Å. All Li–O bond lengths are 2.16 Å. As2- is bonded in a body-centered cubic geometry to eight equivalent Li1+ atoms. O2- is bonded in a body-centered cubic geometry to eight equivalent Li1+ atoms.
DOI: 10.17188/1753596
title: Materials Data on Mg14CdC by Materials Project

description: Mg14CdC 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 to twelve Mg atoms to form a mixture of edge, corner, and face-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.04–3.41 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form a mixture of edge, corner, and face-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.11–3.25 Å. In the third Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Mg, two equivalent Cd, and one C atom. Both Mg–Mg bond lengths are 3.03 Å. There are one shorter (2.96 Å) and one longer (3.41 Å) Mg–Cd bond lengths. The Mg–C bond length is 2.27 Å. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form a mixture of distorted edge, corner, and face-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.05–3.45 Å. In the fifth Mg site, Mg is bonded in a distorted single-bond geometry to five Mg and one Cd atom. There are one shorter (3.18 Å) and one longer (3.25 Å) Mg–Mg bond lengths. The Mg–Cd bond length is 2.81 Å. In the sixth Mg site, Mg is bonded in a 12-coordinate geometry to eleven Mg and one Cd atom. Both Mg–Mg bond lengths are 3.35 Å. The Mg–Cd bond length is 3.17 Å. In the seventh Mg site, Mg is bonded in a single-bond geometry to five Mg and one C atom. The Mg–C bond length is 2.59 Å. Cd is bonded in a 10-coordinate geometry to ten Mg atoms. C is bonded in a 2-coordinate geometry to four Mg atoms.
DOI: 10.17188/1753597
title: Materials Data on Sm3(Si3Pd10)2 by Materials Project

description: Sm3(Pd10Si3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Sm–Pd bond lengths are 2.89 Å. In the second Sm site, Sm is bonded in a distorted cuboctahedral geometry to twelve equivalent Pd atoms. All Sm–Pd bond lengths are 3.03 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Sm and three equivalent Si atoms to form a mixture of corner and edge-sharing PdSmSi3 tetrahedra. All Pd–Si bond lengths are 2.49 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to one Sm and two equivalent Si atoms. Both Pd–Si bond lengths are 2.44 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.
DOI: 10.17188/1753598
title: Materials Data on NiPO4 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: 10.17188/1753599
title: Materials Data on MnFe3Ni2(PO4)6 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: 10.17188/1753600
title: Materials Data on LaAlGe2O7 by Materials Project

description: LaAlGe2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.79 Å. Al3+ is bonded to five O2- atoms to form AlO5 trigonal bipyramids that share corners with five GeO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.81–1.96 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent AlO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.73–1.81 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with three equivalent AlO5 trigonal bipyramids. There is three shorter (1.77 Å) and one longer (1.84 Å) Ge–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Al3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent La3+, one Al3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one La3+, one Al3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Al3+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Al3+, and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one La3+ and two Ge4+ atoms.
DOI: 10.17188/1753601
title: Materials Data on Y3TaO7 by Materials Project

description: Y3TaO7 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.10–2.55 Å. In the second Y3+ site, Y3+ is bonded to six O2- atoms to form distorted corner-sharing YO6 octahedra. The corner-sharing octahedral tilt angles are 70°. There are two shorter (2.28 Å) and four longer (2.29 Å) Y–O bond lengths. Ta5+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.16 Å) and four longer (2.19 Å) Ta–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Y3+ and one Ta5+ atom to form a mixture of distorted edge and corner-sharing OY3Ta tetrahedra. In the second O2- site, O2- is bonded to four Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1753602
title: Materials Data on Li24Mn5Cr7O36 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: 10.17188/1753603
title: Materials Data on Li3CrBO5 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: 10.17188/1753604
title: Materials Data on Li3Co2NiO6 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: 10.17188/1753605
title: Materials Data on InCuAu2 by Materials Project

description: Au2CuIn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Au2CuIn ribbons oriented in the (1, 0, 0) direction. Au1- is bonded in a linear geometry to one Cu1+ and one In1+ atom. The Au–Cu bond length is 2.44 Å. The Au–In bond length is 2.67 Å. Cu1+ is bonded in a linear geometry to two equivalent Au1- atoms. In1+ is bonded in a linear geometry to two equivalent Au1- atoms.
DOI: 10.17188/1753606
title: Materials Data on LiVPO4 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: 10.17188/1753607
title: Materials Data on Mn5P3ClO12 by Materials Project

description: Mn5P3O12Cl crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.25 Å) and three longer (2.31 Å) Mn–O bond lengths. In the second Mn2+ site, Mn2+ is bonded to five O2- and one Cl1- atom to form distorted MnClO5 pentagonal pyramids that share corners with six equivalent MnClO5 pentagonal pyramids, corners with three equivalent PO4 tetrahedra, and an edgeedge with one PO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 2.16–2.37 Å. The Mn–Cl bond length is 2.53 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent MnClO5 pentagonal pyramids and an edgeedge with one MnClO5 pentagonal pyramid. There are a spread of P–O bond distances ranging from 1.54–1.59 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Mn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Mn2+ and one P5+ atom. In the third O2- site, O2- is bonded to three Mn2+ and one P5+ atom to form distorted edge-sharing OMn3P tetrahedra. Cl1- is bonded in a trigonal planar geometry to three equivalent Mn2+ atoms.