cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1681642
title: Materials Data on La2VReO6 by Materials Project

description: La2VReO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, faces with four equivalent VO6 octahedra, and faces with four equivalent ReO6 octahedra. All La–O bond lengths are 2.83 Å. V3+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 2.02 Å. Re3+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 1.99 Å. O2- is bonded in a distorted linear geometry to four equivalent La3+, one V3+, and one Re3+ atom.
DOI: 10.17188/1681643
title: Materials Data on PuReB2 by Materials Project

description: PuReB2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pu3+ is bonded in a 8-coordinate geometry to eight equivalent B3- atoms. There are a spread of Pu–B bond distances ranging from 2.63–2.90 Å. Re3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. There are four shorter (2.28 Å) and two longer (2.30 Å) Re–B bond lengths. B3- is bonded in a 9-coordinate geometry to four equivalent Pu3+, three equivalent Re3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.83 Å.
DOI: 10.17188/1681644
title: Materials Data on Ba2LuBiO6 by Materials Project

description: Ba2LuBiO6 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3 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 LuO6 octahedra, and faces with four equivalent BiO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.94–3.15 Å. Lu3+ is bonded to six equivalent O2- atoms to form LuO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. All Lu–O bond lengths are 2.18 Å. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent LuO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. All Bi–O bond lengths are 2.13 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Lu3+, and one Bi5+ atom.
DOI: 10.17188/1681645
title: Materials Data on Ca2UO17 by Materials Project

description: (Ca2UO16)2O2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional and consists of four water molecules and one Ca2UO16 framework. In the Ca2UO16 framework, Ca is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ca–O bond distances ranging from 2.37–2.86 Å. U is bonded in a distorted linear geometry to eight O atoms. There are a spread of U–O bond distances ranging from 1.86–2.41 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Ca and one U atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Ca and one O atom. The O–O bond length is 1.25 Å. In the third O site, O is bonded to two equivalent Ca, one U, and one O atom to form a mixture of distorted edge, corner, and face-sharing OCa2UO trigonal pyramids. The O–O bond length is 1.49 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Ca and one O atom. The O–O bond length is 1.26 Å. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Ca and one O atom. In the sixth O site, O is bonded to two equivalent Ca, one U, and one O atom to form a mixture of distorted edge, corner, and face-sharing OCa2UO trigonal pyramids. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Ca and one O atom. In the eighth O site, O is bonded in a 2-coordinate geometry to one U and one O atom. The O–O bond length is 1.32 Å.
DOI: 10.17188/1681648
title: Materials Data on LiFe2F5 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: 10.17188/1681649
title: Materials Data on LiOs2N3 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: 10.17188/1681650
title: Materials Data on PrInCu by Materials Project

description: PrInCu crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Cu and six equivalent In atoms. There are four shorter (3.10 Å) and one longer (3.13 Å) Pr–Cu bond lengths. There are two shorter (3.32 Å) and four longer (3.45 Å) Pr–In bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent In atoms. All Cu–In bond lengths are 2.81 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent In atoms. All Cu–In bond lengths are 2.90 Å. In is bonded in a 12-coordinate geometry to six equivalent Pr, four Cu, and two equivalent In atoms. Both In–In bond lengths are 3.21 Å.
DOI: 10.17188/1681651
title: Materials Data on ReMoW2 by Materials Project

description: W2MoRe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two W2MoRe ribbons oriented in the (1, 0, 0) direction. W is bonded in a linear geometry to one Mo and one Re atom. The W–Mo bond length is 2.29 Å. The W–Re bond length is 2.31 Å. Mo is bonded in a linear geometry to two equivalent W atoms. Re is bonded in a linear geometry to two equivalent W atoms.
DOI: 10.17188/1681652
title: Materials Data on CeGa6Ni by Materials Project

description: CeNiGa6 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to sixteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.24–3.43 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a body-centered cubic geometry to eight Ga atoms. All Ni–Ga bond lengths are 2.51 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight Ga atoms. All Ni–Ga bond lengths are 2.51 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. There are one shorter (2.39 Å) and four longer (2.61 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. There are one shorter (2.65 Å) and four longer (3.02 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. The Ga–Ga bond length is 2.65 Å. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. Both Ga–Ce bond lengths are 3.41 Å. There are two shorter (2.61 Å) and four longer (3.02 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. Both Ga–Ce bond lengths are 3.41 Å. Both Ga–Ga bond lengths are 2.61 Å. In the sixth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. All Ga–Ga bond lengths are 2.59 Å. In the seventh Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. There are one shorter (2.62 Å) and four longer (3.02 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. The Ga–Ga bond length is 2.62 Å.
DOI: 10.17188/1681654
title: Materials Data on LiFePO4 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: 10.17188/1681655
title: Materials Data on NaH2(SO2)2 by Materials Project

description: NaH2SO4S crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of four hydrogen sulfide molecules and two NaH2SO4 sheets oriented in the (1, 0, 0) direction. In each NaH2SO4 sheet, Na1+ is bonded to six O2- atoms to form distorted face-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.37–2.54 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. S+2.50+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All S–O bond lengths are 1.47 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S+2.50+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one S+2.50+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one S+2.50+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms.
DOI: 10.17188/1681656
title: Materials Data on Ta2FeTc by Materials Project

description: Ta2TcFe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2TcFe ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one Tc and one Fe atom. The Ta–Tc bond length is 2.22 Å. The Ta–Fe bond length is 2.16 Å. Tc is bonded in a linear geometry to two equivalent Ta atoms. Fe is bonded in a linear geometry to two equivalent Ta atoms.
DOI: 10.6084/m9.figshare.13673527.v1
title: Leaf element data from Sulawesi

description: ICP-OES derived tropical tree (&gt; 10 dbh) leaf stoichiometry (12 elements) from Sulawesi. Data from 10 x 0.25 ha plots on the island's eastern peninsula and Wawonii island.
DOI: 10.17188/1681657
title: Materials Data on C10I3N4 by Materials Project

description: C10N4I3 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two C10N4I3 clusters. there are eight inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a single-bond geometry to one C+1.50+ and one N3- atom. The C–C bond length is 1.37 Å. The C–N bond length is 1.40 Å. In the second C+1.50+ site, C+1.50+ is bonded in a bent 150 degrees geometry to two N3- atoms. There is one shorter (1.20 Å) and one longer (1.41 Å) C–N bond length. In the third C+1.50+ site, C+1.50+ is bonded in a 2-coordinate geometry to two equivalent C+1.50+ atoms. In the fourth C+1.50+ site, C+1.50+ is bonded in a distorted bent 120 degrees geometry to two N3- and one I1- atom. There is one shorter (1.27 Å) and one longer (1.46 Å) C–N bond length. The C–I bond length is 2.13 Å. In the fifth C+1.50+ site, C+1.50+ is bonded in a distorted single-bond geometry to one C+1.50+ and one N3- atom. The C–C bond length is 1.26 Å. The C–N bond length is 1.26 Å. In the sixth C+1.50+ site, C+1.50+ is bonded in a linear geometry to two C+1.50+ atoms. The C–C bond length is 1.32 Å. In the seventh C+1.50+ site, C+1.50+ is bonded in a linear geometry to two C+1.50+ atoms. The C–C bond length is 1.28 Å. In the eighth C+1.50+ site, C+1.50+ is bonded in a single-bond geometry to one C+1.50+ atom. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal non-coplanar geometry to three C+1.50+ atoms. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to two C+1.50+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to two C+1.50+ atoms. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to one I1- atom. The I–I bond length is 2.76 Å. In the second I1- site, I1- is bonded in a distorted linear geometry to two I1- atoms. The I–I bond length is 3.28 Å. In the third I1- site, I1- is bonded in a single-bond geometry to one C+1.50+ and one I1- atom.
DOI: 10.17188/1681658
title: Materials Data on Ba5V5O14 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: 10.6084/m9.figshare.13673527
title: Leaf element data from Sulawesi

description: ICP-OES derived tropical tree (&gt; 10 dbh) leaf stoichiometry (12 elements) from Sulawesi. Data from 10 x 0.25 ha plots on the island's eastern peninsula and Wawonii island.
DOI: 10.17188/1681660
title: Materials Data on Rb2SnO12 by Materials Project

description: Rb2SnO12 crystallizes in the trigonal P-3c1 space group. The structure is two-dimensional and consists of two Rb2SnO12 sheets oriented in the (0, 0, 1) direction. Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.14 Å. Sn is bonded in an octahedral geometry to six equivalent O atoms. All Sn–O bond lengths are 2.22 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two equivalent Rb and one O atom. The O–O bond length is 1.33 Å. In the second O site, O is bonded in a 2-coordinate geometry to one Rb, one Sn, and one O atom.
DOI: 10.17188/1681661
title: Materials Data on MgZn3S4 by Materials Project

description: MgZn3S4 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded to six S2- atoms to form MgS6 octahedra that share corners with six equivalent ZnS6 octahedra, edges with two equivalent MgS6 octahedra, and edges with ten ZnS6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Mg–S bond lengths are 2.60 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six S2- atoms to form ZnS6 octahedra that share corners with three equivalent MgS6 octahedra, corners with three equivalent ZnS6 octahedra, edges with three equivalent MgS6 octahedra, and edges with nine ZnS6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Zn–S bond distances ranging from 2.53–2.58 Å. In the second Zn2+ site, Zn2+ is bonded to six S2- atoms to form ZnS6 octahedra that share corners with six equivalent ZnS6 octahedra, edges with four equivalent MgS6 octahedra, and edges with eight ZnS6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are four shorter (2.56 Å) and two longer (2.57 Å) Zn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to one Mg2+ and five Zn2+ atoms to form a mixture of edge and corner-sharing SMgZn5 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second S2- site, S2- is bonded to two equivalent Mg2+ and four Zn2+ atoms to form a mixture of edge and corner-sharing SMg2Zn4 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.
DOI: 10.17188/1681662
title: Materials Data on Cs2NaUBr6 by Materials Project

description: Cs2NaUBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, faces with four equivalent NaBr6 octahedra, and faces with four equivalent UBr6 octahedra. There are a spread of Cs–Br bond distances ranging from 4.03–4.24 Å. Na1+ is bonded to six equivalent Br1- atoms to form NaBr6 octahedra that share corners with six equivalent UBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. All Na–Br bond lengths are 2.96 Å. U3+ is bonded to six equivalent Br1- atoms to form UBr6 octahedra that share corners with six equivalent NaBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. All U–Br bond lengths are 2.89 Å. Br1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Na1+, and one U3+ atom.
DOI: 10.17188/1681663
title: Materials Data on Li3Fe2(NiO4)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: 10.17188/1681664
title: Materials Data on Mn3(PO4)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: 10.17188/1681665
title: Materials Data on VOF 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: 10.17188/1681666
title: Materials Data on Pr2MgS4 by Materials Project

description: MgPr2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a trigonal pyramidal geometry to four S2- atoms. There are one shorter (2.33 Å) and three longer (2.42 Å) Mg–S bond lengths. There are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pr–S bond distances ranging from 2.84–3.26 Å. In the second Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Pr–S bond distances ranging from 2.72–3.02 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Mg2+ and four Pr3+ atoms. In the second S2- site, S2- is bonded in a T-shaped geometry to one Mg2+ and two Pr3+ atoms. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three Pr3+ atoms.
DOI: 10.17188/1681667
title: Materials Data on Na(FeO2)2 by Materials Project

description: Na(FeO2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to six O atoms. There are four shorter (2.42 Å) and two longer (2.53 Å) Na–O bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.91–2.13 Å. In the second Fe site, Fe is bonded to six O atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 2.03–2.08 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted rectangular see-saw-like geometry to one Na and three Fe atoms. In the second O site, O is bonded to two equivalent Na and three Fe atoms to form a mixture of distorted corner and edge-sharing ONa2Fe3 square pyramids.
DOI: 10.17188/1681668
title: Materials Data on Fe3Mo3C by Materials Project

description: Fe3Mo3C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mo is bonded in a 2-coordinate geometry to six Fe and two equivalent C atoms. There are two shorter (2.72 Å) and four longer (2.73 Å) Mo–Fe bond lengths. Both Mo–C bond lengths are 2.14 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Mo and six equivalent Fe atoms to form FeFe6Mo6 cuboctahedra that share edges with six equivalent CMo6 octahedra and faces with six equivalent FeFe6Mo6 cuboctahedra. All Fe–Fe bond lengths are 2.36 Å. In the second Fe site, Fe is bonded in a distorted q6 geometry to six equivalent Mo and six Fe atoms. All Fe–Fe bond lengths are 2.40 Å. C is bonded to six equivalent Mo atoms to form CMo6 octahedra that share corners with six equivalent CMo6 octahedra and edges with six equivalent FeFe6Mo6 cuboctahedra. The corner-sharing octahedral tilt angles are 48°.
DOI: 10.17188/1681670
title: Materials Data on Tm3Co6Sn5 by Materials Project

description: Tm3Co6Sn5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to four equivalent Co and eight equivalent Sn atoms to form distorted TmCo4Sn8 cuboctahedra that share edges with two equivalent SnTm4Co8 cuboctahedra and faces with two equivalent TmCo4Sn8 cuboctahedra. All Tm–Co bond lengths are 2.93 Å. All Tm–Sn bond lengths are 3.40 Å. In the second Tm site, Tm is bonded in a 6-coordinate geometry to six Co and eight Sn atoms. There are two shorter (2.92 Å) and four longer (3.19 Å) Tm–Co bond lengths. There are a spread of Tm–Sn bond distances ranging from 3.11–3.27 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to two equivalent Tm, four equivalent Co, and four Sn atoms. All Co–Co bond lengths are 2.54 Å. There are two shorter (2.58 Å) and two longer (2.85 Å) Co–Sn bond lengths. In the second Co site, Co is bonded in a 10-coordinate geometry to three Tm, three Co, and four Sn atoms. The Co–Co bond length is 2.65 Å. There are a spread of Co–Sn bond distances ranging from 2.54–2.72 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to five Tm, four Co, and one Sn atom. The Sn–Sn bond length is 3.01 Å. In the second Sn site, Sn is bonded to four equivalent Tm and eight Co atoms to form SnTm4Co8 cuboctahedra that share edges with two equivalent TmCo4Sn8 cuboctahedra and faces with two equivalent SnTm4Co8 cuboctahedra.
DOI: 10.17188/1681672
title: Materials Data on K2PtBr6 by Materials Project

description: K2PtBr6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. K1+ is bonded in a distorted rectangular see-saw-like geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.33–4.01 Å. Pt4+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Pt–Br bond lengths are 2.46 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent K1+ and one Br1- atom. The Br–Br bond length is 2.48 Å. In the second Br1- site, Br1- is bonded in a distorted water-like geometry to three equivalent K1+ and one Pt4+ atom.