cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1726410
title: Materials Data on Mn3NiO8 by Materials Project

description: Mn3NiO8 is trigonal omega-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Mn3NiO8 sheets oriented in the (0, 0, 1) direction. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with two equivalent NiO6 octahedra and edges with four equivalent MnO6 octahedra. There is two shorter (1.94 Å) and four longer (1.95 Å) Mn–O bond length. Ni4+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share edges with six equivalent MnO6 octahedra. All Ni–O bond lengths are 1.92 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mn4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mn4+ and one Ni4+ atom.
DOI: 10.17188/1726411
title: Materials Data on LuB2C by Materials Project

description: LuB2C crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Lu3+ is bonded in a 4-coordinate geometry to four equivalent C3- atoms. There are two shorter (2.52 Å) and two longer (2.55 Å) Lu–C bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a distorted water-like geometry to two equivalent C3- atoms. There is one shorter (1.62 Å) and one longer (1.63 Å) B–C bond length. In the second B site, B is bonded in a distorted single-bond geometry to one C3- atom. The B–C bond length is 1.60 Å. C3- is bonded in a 7-coordinate geometry to four equivalent Lu3+ and three B atoms.
DOI: 10.17188/1726412
title: Materials Data on Na4FeO5 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: 10.17632/rh8zzsgpy3.1
title: Data for: Lying in a Finitely Repeated Game

description: Sender-receiver deception game Player A (Sender) condition 1 = STFB, condtion 2 = ST, condition 3 = PTFB, condition 4 = PT.
DOI: 10.17188/1726413
title: Materials Data on GdAlCu by Materials Project

description: GdCuAl crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Gd sites. In the first Gd site, Gd is bonded in a 5-coordinate geometry to five Cu and six Al atoms. There are a spread of Gd–Cu bond distances ranging from 2.93–2.97 Å. There are two shorter (3.22 Å) and four longer (3.26 Å) Gd–Al bond lengths. In the second Gd site, Gd is bonded in a 5-coordinate geometry to five Cu and six Al atoms. There are a spread of Gd–Cu bond distances ranging from 2.92–2.95 Å. There are two shorter (3.22 Å) and four longer (3.26 Å) Gd–Al bond lengths. In the third Gd site, Gd is bonded in a 5-coordinate geometry to five Cu and six Al atoms. There are a spread of Gd–Cu bond distances ranging from 2.92–2.94 Å. There are a spread of Gd–Al bond distances ranging from 3.22–3.27 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to six Gd and three Al atoms. There are a spread of Cu–Al bond distances ranging from 2.75–2.79 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six Gd and three Al atoms. There are a spread of Cu–Al bond distances ranging from 2.75–2.79 Å. In the third Cu site, Cu is bonded in a distorted q6 geometry to three Gd and six Al atoms. There are two shorter (2.62 Å) and four longer (2.63 Å) Cu–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to six Gd, four Cu, and two Al atoms. Both Al–Al bond lengths are 2.84 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to six Gd, four Cu, and two Al atoms. The Al–Al bond length is 2.84 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to six Gd, four Cu, and two Al atoms.
DOI: 10.17188/1726414
title: Materials Data on As(IF3)2 by Materials Project

description: AsF6(I)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of eight hydriodic acid molecules and four AsF6 clusters. In each AsF6 cluster, As2+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.73–1.80 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As2+ atom.
DOI: 10.17188/1726415
title: Materials Data on LiFe2(BO3)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: 10.17188/1726416
title: Materials Data on Y2(Ni5B3)3 by Materials Project

description: YY(Ni5B3)3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional and consists of eight yttrium molecules and one Y(Ni5B3)3 framework. In the Y(Ni5B3)3 framework, Y3+ is bonded in a 2-coordinate geometry to six B3- atoms. There are a spread of Y–B bond distances ranging from 2.78–2.94 Å. There are ten inequivalent Ni+1.40+ sites. In the first Ni+1.40+ site, Ni+1.40+ is bonded in a distorted rectangular see-saw-like geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 1.97–2.16 Å. In the second Ni+1.40+ site, Ni+1.40+ is bonded in a 4-coordinate geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 2.02–2.34 Å. In the third Ni+1.40+ site, Ni+1.40+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Ni–B bond distances ranging from 2.06–2.15 Å. In the fourth Ni+1.40+ site, Ni+1.40+ is bonded in a 4-coordinate geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 1.99–2.14 Å. In the fifth Ni+1.40+ site, Ni+1.40+ is bonded in an octahedral geometry to six B3- atoms. There are two shorter (2.34 Å) and four longer (2.49 Å) Ni–B bond lengths. In the sixth Ni+1.40+ site, Ni+1.40+ is bonded in a square co-planar geometry to four B3- atoms. There are two shorter (2.01 Å) and two longer (2.15 Å) Ni–B bond lengths. In the seventh Ni+1.40+ site, Ni+1.40+ is bonded in a distorted T-shaped geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 2.05–2.57 Å. In the eighth Ni+1.40+ site, Ni+1.40+ is bonded in a see-saw-like geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 2.02–2.15 Å. In the ninth Ni+1.40+ site, Ni+1.40+ is bonded in a 4-coordinate geometry to four B3- atoms. There are two shorter (2.02 Å) and two longer (2.07 Å) Ni–B bond lengths. In the tenth Ni+1.40+ site, Ni+1.40+ is bonded in a distorted rectangular see-saw-like geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 2.15–2.22 Å. There are six inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to one Y3+, seven Ni+1.40+, and one B3- atom. The B–B bond length is 1.98 Å. In the second B3- site, B3- is bonded to seven Ni+1.40+ atoms to form distorted corner-sharing BNi7 pentagonal bipyramids. In the third B3- site, B3- is bonded in a 9-coordinate geometry to eight Ni+1.40+ and one B3- atom. The B–B bond length is 1.88 Å. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to eight Ni+1.40+ and one B3- atom. In the fifth B3- site, B3- is bonded in a 9-coordinate geometry to one Y3+, six Ni+1.40+, and one B3- atom. The B–B bond length is 1.69 Å. In the sixth B3- site, B3- is bonded in a 9-coordinate geometry to one Y3+, seven Ni+1.40+, and one B3- atom.
DOI: 10.17188/1726417
title: Materials Data on Cs2YCl5 by Materials Project

description: Cs2YCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.65–4.02 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.58–3.85 Å. Y3+ is bonded to six Cl1- atoms to form corner-sharing YCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Y–Cl bond distances ranging from 2.58–2.76 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Y3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Y3+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Cs1+ and one Y3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted linear geometry to four Cs1+ and two equivalent Y3+ atoms.
DOI: 10.17188/1726418
title: Materials Data on Ca8Mn4Al4O21 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: 10.17188/1726420
title: Materials Data on NdBN2 by Materials Project

description: NdBN2 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Nd3+ is bonded to seven N3- atoms to form a mixture of distorted edge, face, and corner-sharing NdN7 pentagonal bipyramids. There are a spread of Nd–N bond distances ranging from 2.50–2.69 Å. B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.47 Å) and one longer (1.48 Å) B–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two equivalent Nd3+ and two equivalent B3+ atoms. In the second N3- site, N3- is bonded in a distorted single-bond geometry to five equivalent Nd3+ and one B3+ atom.
DOI: 10.17188/1726421
title: Materials Data on LiMnF4 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: 10.17188/1726422
title: Materials Data on CaV(Si2O7)2 by Materials Project

description: CaV(Si2O7)2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ca–O bond distances ranging from 2.24–2.43 Å. V is bonded to five O atoms to form distorted VO5 trigonal bipyramids that share corners with four SiO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.61–1.92 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with three equivalent SiO4 tetrahedra and a cornercorner with one VO5 trigonal bipyramid. There are a spread of Si–O bond distances ranging from 1.62–1.64 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with three equivalent SiO4 tetrahedra and a cornercorner with one VO5 trigonal bipyramid. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a linear geometry to two Si atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two Si atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the fourth O site, O is bonded in a single-bond geometry to one V atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one Ca and one O atom. The O–O bond length is 1.28 Å. In the sixth O site, O is bonded in a single-bond geometry to one Ca atom. In the seventh O site, O is bonded in a 3-coordinate geometry to one Ca, one V, and one Si atom. In the eighth O site, O is bonded in a distorted trigonal planar geometry to one Ca, one V, and one Si atom.
DOI: 10.17188/1726423
title: Materials Data on MgV2O4 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: 10.17188/1726424
title: Materials Data on LiCuAg2 by Materials Project

description: LiAg2Cu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiAg2Cu ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Ag atoms. Both Li–Ag bond lengths are 2.54 Å. Ag is bonded in a linear geometry to one Li and one Cu atom. The Ag–Cu bond length is 2.46 Å. Cu is bonded in a linear geometry to two equivalent Ag atoms.
DOI: 10.17188/1726425
title: Materials Data on Na2N2O3 by Materials Project

description: Na2N2O3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.45–2.68 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.45–2.95 Å. In the third Na1+ site, Na1+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.46 Å. There are four inequivalent N2+ sites. In the first N2+ site, N2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.27 Å. In the second N2+ site, N2+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.27 Å. In the third N2+ site, N2+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.27 Å. In the fourth N2+ site, N2+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.27 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one N2+ atom. In the second O2- site, O2- is bonded to three Na1+ and one N2+ atom to form distorted corner-sharing ONa3N tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to four Na1+ and one N2+ atom. In the fourth O2- site, O2- is bonded to three Na1+ and one N2+ atom to form distorted corner-sharing ONa3N tetrahedra. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ and one N2+ atom.
DOI: 10.17188/1726426
title: Materials Data on Fe4O7F 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: 10.17188/1726427
title: Materials Data on LiYbBi by Materials Project

description: LiYbBi crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to five Yb and four Bi atoms. There are a spread of Li–Yb bond distances ranging from 3.16–3.60 Å. There are a spread of Li–Bi bond distances ranging from 2.81–3.19 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to six equivalent Yb and four Bi atoms. There are three shorter (3.31 Å) and three longer (3.61 Å) Li–Yb bond lengths. There are three shorter (2.83 Å) and one longer (3.01 Å) Li–Bi bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 5-coordinate geometry to six Li and six Bi atoms. There are a spread of Yb–Bi bond distances ranging from 3.27–3.53 Å. In the second Yb site, Yb is bonded in a 9-coordinate geometry to three equivalent Li and six equivalent Bi atoms. There are three shorter (3.26 Å) and three longer (3.52 Å) Yb–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 3-coordinate geometry to four Li and six Yb atoms. In the second Bi site, Bi is bonded in a 7-coordinate geometry to four Li and six equivalent Yb atoms.
DOI: 10.17188/1726428
title: Materials Data on Ta2MoIr by Materials Project

description: Ta2MoIr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent Mo and four equivalent Ir atoms. All Ta–Mo bond lengths are 2.78 Å. All Ta–Ir bond lengths are 2.78 Å. Mo is bonded in a body-centered cubic geometry to eight equivalent Ta atoms. Ir is bonded in a body-centered cubic geometry to eight equivalent Ta atoms.
DOI: 10.17188/1726429
title: Materials Data on NbCr3S8 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: 10.17188/1726430
title: Materials Data on Np3SeO13 by Materials Project

description: Np3SeO13 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Np+6.67+ sites. In the first Np+6.67+ site, Np+6.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Np–O bond distances ranging from 1.84–2.45 Å. In the second Np+6.67+ site, Np+6.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Np–O bond distances ranging from 1.84–2.64 Å. In the third Np+6.67+ site, Np+6.67+ is bonded in a distorted pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of Np–O bond distances ranging from 1.80–2.51 Å. Se6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.66 Å) and two longer (1.79 Å) Se–O bond length. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Np+6.67+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of O–O bond distances ranging from 3.00–3.16 Å. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Np+6.67+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Np+6.67+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Np+6.67+ and one O2- atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Np+6.67+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Np+6.67+ and one O2- atom. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Np+6.67+ and one Se6+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Np+6.67+ and one Se6+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to two Np+6.67+ and one O2- atom. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Np+6.67+ atoms. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to two Np+6.67+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Np+6.67+ atoms.
DOI: 10.17188/1726431
title: Materials Data on Cs(FeP)2 by Materials Project

description: Cs(FeP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted body-centered cubic geometry to eight equivalent P3- atoms. All Cs–P bond lengths are 3.70 Å. Fe+2.50+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing FeP4 tetrahedra. All Fe–P bond lengths are 2.19 Å. P3- is bonded in a 4-coordinate geometry to four equivalent Cs1+ and four equivalent Fe+2.50+ atoms.
DOI: 10.17188/1726432
title: Materials Data on MgSi by Materials Project

description: MgSi crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 5-coordinate geometry to six Mg and five Si atoms. There are a spread of Mg–Mg bond distances ranging from 3.09–3.39 Å. There are a spread of Mg–Si bond distances ranging from 2.75–2.99 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to five Mg and eight Si atoms. There are a spread of Mg–Mg bond distances ranging from 3.10–3.32 Å. There are a spread of Mg–Si bond distances ranging from 2.70–3.19 Å. In the third Mg site, Mg is bonded in a 5-coordinate geometry to seven Mg and seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.88–3.23 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to seven Mg and three equivalent Si atoms. There are one shorter (2.50 Å) and two longer (2.59 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms. The Si–Si bond length is 2.45 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to eight Mg and one Si atom. The Si–Si bond length is 2.46 Å.
DOI: 10.17188/1726433
title: Materials Data on MnFeCo(PO4)3 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: 10.17188/1726434
title: Materials Data on LiSn(PO3)4 by Materials Project

description: LiSn(PO3)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six PO4 tetrahedra and edges with two equivalent SnO6 octahedra. There are a spread of Li–O bond distances ranging from 2.13–2.18 Å. Sn3+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six PO4 tetrahedra and edges with two equivalent LiO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.20–2.32 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one SnO6 octahedra, corners with two equivalent LiO6 octahedra, and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–55°. There are a spread of P–O bond distances ranging from 1.47–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one LiO6 octahedra, corners with two equivalent SnO6 octahedra, and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 24–56°. There are a spread of P–O bond distances ranging from 1.50–1.60 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sn3+, and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sn3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P5+ atoms.