cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1725096
title: Materials Data on Fe3(PO6)2 by Materials Project

description: Fe3(PO6)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with four equivalent PO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.88–2.04 Å. In the second Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra, corners with three equivalent PO4 tetrahedra, and an edgeedge with one FeO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Fe–O bond distances ranging from 1.87–2.28 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with five FeO6 octahedra. The corner-sharing octahedra tilt angles range from 40–58°. There are a spread of P–O bond distances ranging from 1.55–1.57 Å. There are six inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two Fe and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Fe and one P atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Fe and one P atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Fe and one P atom. In the fifth O site, O is bonded in a water-like geometry to two Fe atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two equivalent Fe atoms.
DOI: 10.17188/1725097
title: Materials Data on SrLiTiF6 by Materials Project

description: LiSrTiF6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent SrF6 octahedra and edges with three equivalent TiF6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Li–F bond lengths are 2.08 Å. Sr2+ is bonded to six equivalent F1- atoms to form SrF6 octahedra that share corners with six equivalent LiF6 octahedra and corners with six equivalent TiF6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. All Sr–F bond lengths are 2.46 Å. Ti3+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent SrF6 octahedra and edges with three equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ti–F bond lengths are 1.99 Å. F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Sr2+, and one Ti3+ atom.
DOI: 10.17188/1725098
title: Materials Data on SmGaSb2 by Materials Project

description: SmGaSb2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm3+ is bonded to six Sb3- atoms to form SmSb6 octahedra that share corners with six equivalent SmSb6 octahedra, edges with four equivalent SmSb6 octahedra, and edges with eight equivalent GaSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.07 Å) and two longer (3.15 Å) Sm–Sb bond lengths. Ga3+ is bonded to six Sb3- atoms to form GaSb6 octahedra that share corners with six equivalent GaSb6 octahedra, edges with four equivalent GaSb6 octahedra, and edges with eight equivalent SmSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.07 Å) and two longer (3.15 Å) Ga–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to four equivalent Sm3+ and two equivalent Ga3+ atoms to form a mixture of edge and corner-sharing SbSm4Ga2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Sb3- site, Sb3- is bonded to two equivalent Sm3+ and four equivalent Ga3+ atoms to form SbSm2Ga4 octahedra that share corners with six equivalent SbSm2Ga4 octahedra and edges with twelve SbSm4Ga2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1725099
title: Materials Data on UP2H8C2NO8 by Materials Project

description: UP2(HO4)2N(CH3)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four dimethylamine molecules and one UP2(HO4)2 sheet oriented in the (1, 0, 0) direction. In the UP2(HO4)2 sheet, U3+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with five PHO3 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.41 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to one H1+ and three O2- atoms to form distorted PHO3 tetrahedra that share corners with three equivalent UO7 pentagonal bipyramids. The P–H bond length is 1.41 Å. There is two shorter (1.53 Å) and one longer (1.54 Å) P–O bond length. In the second P5+ site, P5+ is bonded to one H1+ and three O2- atoms to form distorted PHO3 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids. The P–H bond length is 1.41 Å. There are a spread of P–O bond distances ranging from 1.53–1.55 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one P5+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one P5+ atom. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one U3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U3+ and one P5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U3+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one U3+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to one U3+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U3+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one U3+ and one P5+ atom.
DOI: 10.17188/1725100
title: Materials Data on NaLi2MnPCO7 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: 10.17188/1725101
title: Materials Data on TiMoS3 by Materials Project

description: TiMoS3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ti4+ is bonded to six S2- atoms to form TiS6 octahedra that share corners with six equivalent MoS6 octahedra, edges with six equivalent TiS6 octahedra, and a faceface with one MoS6 octahedra. The corner-sharing octahedra tilt angles range from 44–51°. There are a spread of Ti–S bond distances ranging from 2.42–2.54 Å. Mo2+ is bonded to six S2- atoms to form MoS6 octahedra that share corners with six equivalent TiS6 octahedra, edges with four equivalent MoS6 octahedra, and a faceface with one TiS6 octahedra. The corner-sharing octahedra tilt angles range from 44–51°. There are a spread of Mo–S bond distances ranging from 2.36–2.61 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Ti4+ and two equivalent Mo2+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ti4+ and one Mo2+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Mo2+ atoms.
DOI: 10.17188/1725102
title: Materials Data on YI by Materials Project

description: YI crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two YI sheets oriented in the (0, 0, 1) direction. Y is bonded in a 3-coordinate geometry to three equivalent I atoms. All Y–I bond lengths are 3.13 Å. I is bonded in a 3-coordinate geometry to three equivalent Y atoms.
DOI: 10.17188/1725103
title: Materials Data on Cr3O 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: 10.17188/1725104
title: Materials Data on Li2Mn3CoO8 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: 10.17188/1725105
title: Materials Data on MgH12(ClO6)2 by Materials Project

description: Mg(H2O)6(ClO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two magnesium;hexahydrate molecules and four ClO3 clusters. In each ClO3 cluster, there are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Cl atom. The O–Cl bond length is 1.51 Å. In the second O site, O is bonded in a distorted single-bond geometry to one Cl atom. The O–Cl bond length is 1.51 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.51 Å. Cl is bonded in a trigonal non-coplanar geometry to three O atoms.
DOI: 10.17188/1725106
title: Materials Data on Am2S3 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: 10.17188/1725107
title: Materials Data on Cs2W(OF2)2 by Materials Project

description: Cs2WO2F4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to four equivalent O2- and eight equivalent F1- atoms. There are a spread of Cs–O bond distances ranging from 3.21–3.45 Å. There are a spread of Cs–F bond distances ranging from 3.24–3.40 Å. W6+ is bonded in an octahedral geometry to two equivalent O2- and four equivalent F1- atoms. Both W–O bond lengths are 1.84 Å. All W–F bond lengths are 1.98 Å. O2- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one W6+ atom. F1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one W6+ atom.
DOI: 10.17188/1725108
title: Materials Data on Sr2V3BiO11 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: 10.17188/1725109
title: Materials Data on Li2MnVP2(O4F)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: 10.17188/1725110
title: Materials Data on Mg2MnSbO6 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: 10.17188/1725111
title: Materials Data on SiO2 by Materials Project

description: SiO2 is Silicon Disuphide structured and crystallizes in the orthorhombic Ibam space group. The structure is one-dimensional and consists of two SiO2 ribbons oriented in the (0, 1, 0) direction. Si4+ is bonded to four equivalent O2- atoms to form distorted edge-sharing SiO4 tetrahedra. All Si–O bond lengths are 1.67 Å. O2- is bonded in an L-shaped geometry to two equivalent Si4+ atoms.
DOI: 10.17188/1725112
title: Materials Data on MnFe3Si8 by Materials Project

description: MnFe3Si8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn2+ is bonded in a body-centered cubic geometry to eight equivalent Si1- atoms. All Mn–Si bond lengths are 2.37 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to eight Si1- atoms. There are four shorter (2.37 Å) and four longer (2.39 Å) Fe–Si bond lengths. In the second Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to eight equivalent Si1- atoms. All Fe–Si bond lengths are 2.38 Å. There are four inequivalent Si1- sites. In the first Si1- site, Si1- is bonded in a 9-coordinate geometry to four equivalent Fe2+ and one Si1- atom. The Si–Si bond length is 2.35 Å. In the second Si1- site, Si1- is bonded in a 9-coordinate geometry to four equivalent Fe2+ and one Si1- atom. The Si–Si bond length is 2.34 Å. In the third Si1- site, Si1- is bonded in a 5-coordinate geometry to four equivalent Fe2+ and one Si1- atom. In the fourth Si1- site, Si1- is bonded in a 5-coordinate geometry to four equivalent Mn2+ and one Si1- atom.
DOI: 10.17188/1725113
title: Materials Data on SrLaCoO4 by Materials Project

description: LaSrCoO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–2.75 Å. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.36–2.74 Å. Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Co–O bond distances ranging from 1.93–2.13 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Co3+ atoms to form distorted OSr2La2Co2 octahedra that share corners with fourteen OSrLa4Co octahedra, edges with two equivalent OSr2La2Co2 octahedra, and faces with eight OSrLa4Co octahedra. The corner-sharing octahedra tilt angles range from 6–53°. In the second O2- site, O2- is bonded to one Sr2+, four equivalent La3+, and one Co3+ atom to form distorted OSrLa4Co octahedra that share corners with seventeen OSrLa4Co octahedra, edges with eight OSrLa4Co octahedra, and faces with four equivalent OSr2La2Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the third O2- site, O2- is bonded to four equivalent Sr2+, one La3+, and one Co3+ atom to form distorted OSr4LaCo octahedra that share corners with seventeen OSrLa4Co octahedra, edges with eight OSrLa4Co octahedra, and faces with four equivalent OSr2La2Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°.
DOI: 10.17188/1725115
title: Materials Data on Gd2Fe17C3 by Materials Project

description: Gd2Fe17C3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd is bonded in a distorted trigonal planar geometry to four Fe and three equivalent C atoms. There are one shorter (3.05 Å) and three longer (3.30 Å) Gd–Fe bond lengths. All Gd–C bond lengths are 2.50 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Gd and ten Fe atoms to form FeGd2Fe10 cuboctahedra that share corners with four equivalent FeGd2Fe10 cuboctahedra, corners with two equivalent CGd2Fe4 octahedra, faces with four equivalent FeGd2Fe10 cuboctahedra, and faces with four equivalent CGd2Fe4 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of Fe–Fe bond distances ranging from 2.44–2.66 Å. In the second Fe site, Fe is bonded in a single-bond geometry to four Fe and one C atom. Both Fe–Fe bond lengths are 2.73 Å. The Fe–C bond length is 1.87 Å. In the third Fe site, Fe is bonded in a single-bond geometry to three Fe and one C atom. The Fe–Fe bond length is 2.68 Å. The Fe–C bond length is 1.89 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Gd and thirteen Fe atoms. The Fe–Fe bond length is 2.36 Å. C is bonded to two equivalent Gd and four Fe atoms to form CGd2Fe4 octahedra that share corners with two equivalent FeGd2Fe10 cuboctahedra, corners with four equivalent CGd2Fe4 octahedra, and faces with four equivalent FeGd2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.
DOI: 10.17188/1725116
title: Materials Data on FePO4 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: 10.17188/1725118
title: Materials Data on SbH8N2F5 by Materials Project

description: (NH4)2SbF5 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two ammonium molecules and two SbNH4F5 ribbons oriented in the (0, 1, 0) direction. In each SbNH4F5 ribbon, Sb3+ is bonded in a distorted square pyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.98–2.15 Å. N3- is bonded in a tetrahedral geometry to four H1+ atoms. There are a spread of N–H bond distances ranging from 1.02–1.05 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- and one F1- atom. The H–F bond length is 1.61 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Sb3+ and one H1+ atom.
DOI: 10.17188/1725119
title: Materials Data on K3(TcCl4)2 by Materials Project

description: K3(TcCl4)2 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.17–3.83 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.22–3.32 Å. Tc+2.50+ is bonded in a 4-coordinate geometry to four Cl1- atoms. There are a spread of Tc–Cl bond distances ranging from 2.34–2.41 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Tc+2.50+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three K1+ and one Tc+2.50+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Tc+2.50+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Tc+2.50+ atom.
DOI: 10.17188/1725121
title: Materials Data on ScCuSe2 by Materials Project

description: ScCuSe2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six Se2- atoms to form ScSe6 octahedra that share corners with six CuSe4 tetrahedra, edges with six ScSe6 octahedra, and edges with three CuSe4 tetrahedra. There are a spread of Sc–Se bond distances ranging from 2.67–2.78 Å. In the second Sc3+ site, Sc3+ is bonded to six Se2- atoms to form ScSe6 octahedra that share corners with six CuSe4 tetrahedra, edges with six ScSe6 octahedra, and edges with three CuSe4 tetrahedra. There are a spread of Sc–Se bond distances ranging from 2.68–2.78 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with six ScSe6 octahedra, corners with two equivalent CuSe4 tetrahedra, edges with three ScSe6 octahedra, and an edgeedge with one CuSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 14–60°. There are a spread of Cu–Se bond distances ranging from 2.43–2.46 Å. In the second Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with six ScSe6 octahedra, corners with two equivalent CuSe4 tetrahedra, edges with three ScSe6 octahedra, and an edgeedge with one CuSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 13–60°. There are three shorter (2.43 Å) and one longer (2.47 Å) Cu–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three Sc3+ and two Cu1+ atoms to form a mixture of distorted edge and corner-sharing SeSc3Cu2 square pyramids. In the second Se2- site, Se2- is bonded to three Sc3+ and two Cu1+ atoms to form a mixture of edge and corner-sharing SeSc3Cu2 square pyramids. In the third Se2- site, Se2- is bonded to three Sc3+ and two Cu1+ atoms to form a mixture of edge and corner-sharing SeSc3Cu2 square pyramids. In the fourth Se2- site, Se2- is bonded to three Sc3+ and two Cu1+ atoms to form a mixture of distorted edge and corner-sharing SeSc3Cu2 square pyramids.
DOI: 10.17188/1725122
title: Materials Data on Ca4Fe3As8Pt by Materials Project

description: Ca4Fe3PtAs8 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 10-coordinate geometry to two equivalent Pt2- and eight As+1.88- atoms. Both Ca–Pt bond lengths are 3.38 Å. There are two shorter (3.05 Å) and six longer (3.07 Å) Ca–As bond lengths. In the second Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight As+1.88- atoms. There are a spread of Ca–As bond distances ranging from 3.08–3.12 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to four equivalent As+1.88- atoms to form a mixture of edge and corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.34 Å. In the second Fe3+ site, Fe3+ is bonded in a 4-coordinate geometry to four equivalent Pt2- and four equivalent As+1.88- atoms. All Fe–Pt bond lengths are 2.78 Å. All Fe–As bond lengths are 2.46 Å. Pt2- is bonded to four equivalent Ca2+, four equivalent Fe3+, and four equivalent As+1.88- atoms to form a mixture of distorted face and corner-sharing PtCa4Fe4As4 cuboctahedra. All Pt–As bond lengths are 2.46 Å. There are four inequivalent As+1.88- sites. In the first As+1.88- site, As+1.88- is bonded in a 8-coordinate geometry to four Ca2+ and four equivalent As+1.88- atoms. All As–As bond lengths are 2.78 Å. In the second As+1.88- site, As+1.88- is bonded in a 8-coordinate geometry to four Ca2+ and four equivalent As+1.88- atoms. In the third As+1.88- site, As+1.88- is bonded in a 8-coordinate geometry to four equivalent Ca2+ and four equivalent Fe3+ atoms. In the fourth As+1.88- site, As+1.88- is bonded in a 8-coordinate geometry to four equivalent Ca2+, two equivalent Fe3+, and two equivalent Pt2- atoms.