cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1679401
title: Materials Data on LaSO5 by Materials Project

description: LaSO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.45–2.78 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.52 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one La and one S atom. In the second O site, O is bonded in a trigonal non-coplanar geometry to three equivalent La atoms. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one La and one S atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to two equivalent La and one S atom. In the fifth O site, O is bonded in a single-bond geometry to two equivalent La and one S atom.
DOI: 10.17188/1679402
title: Materials Data on Li5MnOF5 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: 10.17188/1679403
title: Materials Data on Cs2AlInBr6 by Materials Project

description: Cs2InAlBr6 crystallizes in the cubic Fm-3m 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 InBr6 octahedra, and faces with four equivalent AlBr6 octahedra. All Cs–Br bond lengths are 4.06 Å. In1+ is bonded to six equivalent Br1- atoms to form InBr6 octahedra that share corners with six equivalent AlBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Br bond lengths are 3.17 Å. Al3+ is bonded to six equivalent Br1- atoms to form AlBr6 octahedra that share corners with six equivalent InBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–Br bond lengths are 2.54 Å. Br1- is bonded in a 2-coordinate geometry to four equivalent Cs1+, one In1+, and one Al3+ atom.
DOI: 10.17188/1679404
title: Materials Data on LuFe5P3 by Materials Project

description: LuFe5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu is bonded in a 6-coordinate geometry to ten Fe and six P atoms. There are a spread of Lu–Fe bond distances ranging from 2.92–3.10 Å. There are a spread of Lu–P bond distances ranging from 2.76–2.84 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Fe–P bond distances ranging from 2.25–2.54 Å. In the second Fe site, Fe is bonded to three equivalent Lu and four P atoms to form a mixture of distorted face, edge, and corner-sharing FeLu3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.24–2.28 Å. In the third Fe site, Fe is bonded to three equivalent Lu and four P atoms to form a mixture of distorted face, edge, and corner-sharing FeLu3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.19–2.34 Å. In the fourth Fe site, Fe is bonded to three equivalent Lu and four P atoms to form a mixture of distorted face, edge, and corner-sharing FeLu3P4 tetrahedra. There are two shorter (2.29 Å) and two longer (2.30 Å) Fe–P bond lengths. In the fifth Fe site, Fe is bonded to one Lu and four P atoms to form distorted FeLuP4 tetrahedra that share corners with nine FeLu3P4 tetrahedra, edges with five FeLuP4 tetrahedra, and faces with two equivalent FeLu3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.15–2.23 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Lu and seven Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Lu and seven Fe atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Lu and seven Fe atoms.
DOI: 10.17188/1679405
title: Materials Data on NiTeO4 by Materials Project

description: NiTeO4 is trigonal omega-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share edges with two equivalent NiO6 octahedra and edges with four equivalent TeO6 octahedra. There are four shorter (2.09 Å) and two longer (2.15 Å) Ni–O bond lengths. Te4+ is bonded to six O2- atoms to form TeO6 octahedra that share edges with two equivalent TeO6 octahedra and edges with four equivalent NiO6 octahedra. There is two shorter (1.90 Å) and four longer (2.04 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Ni4+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ni4+ and one Te4+ atom.
DOI: 10.17188/1679406
title: Materials Data on MnAl2Ni by Materials Project

description: MnNiAl2 is beta-prime cadmium gold-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Al atoms. All Mn–Al bond lengths are 2.61 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ni–Al bond lengths are 2.49 Å. Al is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Ni atoms.
DOI: 10.17188/1679407
title: Materials Data on V2N 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: 10.17188/1679408
title: Materials Data on Na2ScCuF6 by Materials Project

description: Na2ScCuF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent F1- atoms to form NaF12 cuboctahedra that share corners with twelve equivalent NaF12 cuboctahedra, faces with six equivalent NaF12 cuboctahedra, faces with four equivalent ScF6 octahedra, and faces with four equivalent CuF6 octahedra. All Na–F bond lengths are 2.97 Å. Sc3+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent CuF6 octahedra and faces with eight equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.02 Å. Cu1+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent ScF6 octahedra and faces with eight equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–F bond lengths are 2.18 Å. F1- is bonded in a distorted linear geometry to four equivalent Na1+, one Sc3+, and one Cu1+ atom.
DOI: 10.17188/1679410
title: Materials Data on CeGdN2 by Materials Project

description: GdCeN2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Gd3+ is bonded to six N3- atoms to form GdN6 octahedra that share corners with six equivalent GdN6 octahedra, edges with four equivalent GdN6 octahedra, and edges with eight equivalent CeN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.49 Å) and four longer (2.51 Å) Gd–N bond lengths. Ce3+ is bonded to six N3- atoms to form CeN6 octahedra that share corners with six equivalent CeN6 octahedra, edges with four equivalent CeN6 octahedra, and edges with eight equivalent GdN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.49 Å) and four longer (2.51 Å) Ce–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Gd3+ and four equivalent Ce3+ atoms to form a mixture of corner and edge-sharing NCe4Gd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N3- site, N3- is bonded to four equivalent Gd3+ and two equivalent Ce3+ atoms to form NCe2Gd4 octahedra that share corners with six equivalent NCe2Gd4 octahedra and edges with twelve NCe4Gd2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1679411
title: Materials Data on NbAs3 by Materials Project

description: NbAs3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nb3+ is bonded to twelve As1- atoms to form NbAs12 cuboctahedra that share corners with four equivalent NbAs12 cuboctahedra, edges with eight equivalent NbAs12 cuboctahedra, edges with sixteen equivalent AsNb4As8 cuboctahedra, faces with four equivalent NbAs12 cuboctahedra, and faces with eight equivalent AsNb4As8 cuboctahedra. There are four shorter (2.81 Å) and eight longer (3.03 Å) Nb–As bond lengths. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded to four equivalent Nb3+ and eight As1- atoms to form distorted AsNb4As8 cuboctahedra that share corners with twelve equivalent AsNb4As8 cuboctahedra, edges with eight equivalent NbAs12 cuboctahedra, edges with eight equivalent AsNb4As8 cuboctahedra, faces with four equivalent NbAs12 cuboctahedra, and faces with ten equivalent AsNb4As8 cuboctahedra. There are four shorter (2.81 Å) and four longer (3.03 Å) As–As bond lengths. In the second As1- site, As1- is bonded in a square co-planar geometry to four equivalent Nb3+ and eight equivalent As1- atoms.
DOI: 10.6084/m9.figshare.13289588
title: 'Feedback mechanisms stabilise degraded turf algal systems at a CO2 seep site' - Associated Raw Data for Figures

description: Files contain the raw data necessary to reproduce the Figures in the article 'Feedback mechanisms stabilise degraded turf algal systems at a CO2 seep site', published at Communications Biology
DOI: 10.6084/m9.figshare.13289588.v1
title: 'Feedback mechanisms stabilise degraded turf algal systems at a CO2 seep site' - Associated Raw Data for Figures

description: Files contain the raw data necessary to reproduce the Figures in the article 'Feedback mechanisms stabilise degraded turf algal systems at a CO2 seep site', published at Communications Biology
DOI: 10.17188/1679412
title: Materials Data on Na6CoO4 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: 10.17188/1679413
title: Materials Data on Fe2NO8 by Materials Project

description: Fe2O5NO3 crystallizes in the monoclinic Pc space group. The structure is two-dimensional and consists of two nitric acid molecules and one Fe2O5 sheet oriented in the (0, 1, 0) direction. In the Fe2O5 sheet, there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Fe–O bond distances ranging from 1.87–2.01 Å. In the second Fe site, Fe is bonded to six O atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Fe–O bond distances ranging from 1.72–2.03 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to three Fe atoms. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to three Fe atoms. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to three Fe atoms. In the fourth O site, O is bonded in a water-like geometry to two equivalent Fe atoms. In the fifth O site, O is bonded in a single-bond geometry to one Fe atom.
DOI: 10.17188/1679414
title: Materials Data on CoH15Br2(N3O)2 by Materials Project

description: CoH15(N3O)2(Br)2 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of eight hydrobromic acid molecules and four CoH15(N3O)2 clusters. In each CoH15(N3O)2 cluster, Co3+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Co–N bond distances ranging from 1.98–2.11 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one Co3+ and two O2- atoms. Both N–O bond lengths are 1.24 Å. In the second N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. In the third N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. In the fourth N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the fifth N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the sixth N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are fifteen 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- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N3- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N3- atom.
DOI: 10.17188/1679415
title: Materials Data on VH6SO10 by Materials Project

description: (VH5SO8)2H2O2O2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one hydrogen peroxide molecule; two water molecules; and one VH5SO8 sheet oriented in the (0, 1, 0) direction. In the VH5SO8 sheet, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.60–2.27 Å. There are five inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the third H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.73 Å) H–O bond length. In the fourth H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. In the fifth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.54 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to one V and two H atoms. In the second O site, O is bonded in a distorted water-like geometry to one V and two H atoms. In the third O site, O is bonded in a single-bond geometry to one S atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one V and one S atom. In the fifth O site, O is bonded in a 3-coordinate geometry to two H and one S atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one V and one H atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one V and one S atom. In the eighth O site, O is bonded in a single-bond geometry to one V atom.
DOI: 10.17188/1679416
title: Materials Data on Zr6Be15Ni8 by Materials Project

description: Be15Zr6Ni8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded to four equivalent Be, four equivalent Zr, and four equivalent Ni atoms to form a mixture of distorted face and corner-sharing BeZr4Be4Ni4 cuboctahedra. All Be–Be bond lengths are 2.28 Å. All Be–Zr bond lengths are 2.81 Å. All Be–Ni bond lengths are 2.41 Å. In the second Be site, Be is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Be–Ni bond lengths are 2.39 Å. In the third Be site, Be is bonded in a distorted q6 geometry to six Be, three equivalent Zr, and three equivalent Ni atoms. All Be–Be bond lengths are 2.27 Å. All Be–Zr bond lengths are 2.81 Å. All Be–Ni bond lengths are 2.35 Å. Zr is bonded in a 12-coordinate geometry to eight Be and four equivalent Ni atoms. All Zr–Ni bond lengths are 2.69 Å. Ni is bonded in a 10-coordinate geometry to seven Be and three equivalent Zr atoms.
DOI: 10.17188/1679417
title: Materials Data on Sr4Fe4O11 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: 10.17188/1679418
title: Materials Data on Mg13Al16 by Materials Project

description: Mg13Al16 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six equivalent Mg and six Al atoms. There are two shorter (3.11 Å) and four longer (3.14 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.90–3.11 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.10 Å) and twelve longer (3.17 Å) Mg–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 11-coordinate geometry to six Mg and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.66–3.06 Å. In the second Al site, Al is bonded in a 4-coordinate geometry to four Mg and six equivalent Al atoms.
DOI: 10.17188/1679419
title: Materials Data on FeNi5N4 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: 10.17188/1679420
title: Materials Data on LiVP2O7 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: 10.17188/1679421
title: Materials Data on YbSi2 by Materials Project

description: YbSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Yb is bonded to twelve Si atoms to form a mixture of edge and face-sharing YbSi12 cuboctahedra. There are four shorter (3.08 Å) and eight longer (3.19 Å) Yb–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Si atoms. There are two shorter (3.08 Å) and four longer (3.19 Å) Si–Yb bond lengths. There are one shorter (2.28 Å) and two longer (2.38 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Si atoms. There are one shorter (2.28 Å) and two longer (2.38 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Si atoms. There are one shorter (2.28 Å) and two longer (2.38 Å) Si–Si bond lengths.
DOI: 10.17188/1679423
title: Materials Data on TmBiPd by Materials Project

description: TmPdBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tm is bonded to four equivalent Pd and six equivalent Bi atoms to form a mixture of distorted face and corner-sharing TmBi6Pd4 tetrahedra. All Tm–Pd bond lengths are 2.89 Å. All Tm–Bi bond lengths are 3.34 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.89 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Pd atoms.
DOI: 10.17188/1679424
title: Materials Data on PrCoSb2 by Materials Project

description: PrCoSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight Sb+2.50- atoms. There are four shorter (3.30 Å) and four longer (3.37 Å) Pr–Sb bond lengths. Co2+ is bonded to four equivalent Sb+2.50- atoms to form a mixture of edge and corner-sharing CoSb4 tetrahedra. All Co–Sb bond lengths are 2.54 Å. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent Sb+2.50- atoms. All Sb–Sb bond lengths are 3.10 Å. In the second Sb+2.50- site, Sb+2.50- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent Co2+ atoms.
DOI: 10.17188/1679425
title: Materials Data on LaNdC4 by Materials Project

description: NdLaC4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of Nd–C bond distances ranging from 2.60–2.82 Å. La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.64 Å) and eight longer (2.85 Å) La–C bond lengths. There are two inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 2-coordinate geometry to three equivalent Nd3+, two equivalent La3+, and one C+1.50- atom. The C–C bond length is 1.30 Å. In the second C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to two equivalent Nd3+, three equivalent La3+, and one C+1.50- atom.
DOI: 10.17188/1679426
title: Materials Data on BaSiPt by Materials Project

description: BaPtSi crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ba2+ is bonded in a 5-coordinate geometry to one Pt2+ and four equivalent Si4- atoms. The Ba–Pt bond length is 3.13 Å. There are one shorter (3.37 Å) and three longer (3.55 Å) Ba–Si bond lengths. Pt2+ is bonded to one Ba2+ and three equivalent Si4- atoms to form distorted corner-sharing PtBaSi3 trigonal pyramids. All Pt–Si bond lengths are 2.41 Å. Si4- is bonded in a 3-coordinate geometry to four equivalent Ba2+ and three equivalent Pt2+ atoms.