cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1284949
title: Materials Data on ZnH20S2(NO7)2 by Materials Project

description: ZnH20S2(NO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one ZnH20S2(NO7)2 sheet oriented in the (1, 0, 0) direction. Zn2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.10–2.19 Å. N5+ is bonded in a tetrahedral geometry to four H1+ atoms. There are a spread of N–H bond distances ranging from 1.03–1.05 Å. There are ten inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N5+ and one O2- atom. The H–O bond length is 1.72 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N5+ atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.71 Å) H–O bond length. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N5+ atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.68 Å) H–O bond length. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one N5+ atom. In the tenth H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.64 Å) H–O bond length. S2- is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.51 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Zn2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Zn2+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Zn2+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one S2- atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one H1+ and one S2- atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two H1+ and one S2- atom.
DOI: 10.17188/1284950
title: Materials Data on Sr(SbPd)2 by Materials Project

description: Sr(PdSb)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Sb3- atoms. All Sr–Sb bond lengths are 3.63 Å. Pd2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing PdSb4 tetrahedra. All Pd–Sb bond lengths are 2.68 Å. Sb3- is bonded in a 9-coordinate geometry to four equivalent Sr2+, four equivalent Pd2+, and one Sb3- atom. The Sb–Sb bond length is 2.93 Å.
DOI: 10.17188/1284951
title: Materials Data on CoCl2 by Materials Project

description: CoCl2 is trigonal omega structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one CoCl2 sheet oriented in the (0, 0, 1) direction. Co2+ is bonded to six equivalent Cl1- atoms to form edge-sharing CoCl6 octahedra. There are two shorter (2.42 Å) and four longer (2.44 Å) Co–Cl bond lengths. Cl1- is bonded in a distorted T-shaped geometry to three equivalent Co2+ atoms.
DOI: 10.17188/1284952
title: Materials Data on Li10Sn(PS6)2 by Materials Project

description: Li10SnP2S12 crystallizes in the tetragonal P4_2mc space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.44–2.84 Å. In the second Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with two equivalent PS4 tetrahedra, edges with two equivalent PS4 tetrahedra, and edges with four equivalent LiS5 trigonal bipyramids. There are a spread of Li–S bond distances ranging from 2.62–2.74 Å. In the third Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with two equivalent PS4 tetrahedra, edges with two equivalent SnS4 tetrahedra, and faces with four equivalent LiS5 trigonal bipyramids. There are a spread of Li–S bond distances ranging from 2.66–2.82 Å. In the fourth Li1+ site, Li1+ is bonded to five S2- atoms to form distorted LiS5 trigonal bipyramids that share a cornercorner with one PS4 tetrahedra, corners with two equivalent SnS4 tetrahedra, corners with three equivalent LiS5 trigonal bipyramids, an edgeedge with one LiS6 octahedra, an edgeedge with one PS4 tetrahedra, an edgeedge with one LiS5 trigonal bipyramid, and a faceface with one LiS6 octahedra. There are a spread of Li–S bond distances ranging from 2.41–2.95 Å. Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share corners with eight equivalent LiS5 trigonal bipyramids and edges with two equivalent LiS6 octahedra. There are two shorter (2.40 Å) and two longer (2.42 Å) Sn–S bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share corners with four equivalent LiS5 trigonal bipyramids and edges with two equivalent LiS6 octahedra. There are two shorter (2.05 Å) and two longer (2.07 Å) P–S bond lengths. In the second P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share corners with four LiS6 octahedra and edges with four equivalent LiS5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 42–48°. There are two shorter (2.05 Å) and two longer (2.07 Å) P–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded to three Li1+ and one P5+ atom to form edge-sharing SLi3P trigonal pyramids. In the second S2- site, S2- is bonded in a distorted hexagonal planar geometry to five Li1+ and one Sn4+ atom. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to three Li1+ and one P5+ atom. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to five Li1+ and one Sn4+ atom. In the fifth S2- site, S2- is bonded in a 6-coordinate geometry to five Li1+ and one P5+ atom. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to three Li1+ and one P5+ atom.
DOI: 10.17188/1284953
title: Materials Data on Li10Si(PO6)2 by Materials Project

description: Li10Si(PO6)2 crystallizes in the tetragonal P4_2mc space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.92–2.24 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent PO4 tetrahedra and edges with two equivalent PO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.09–2.22 Å. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent PO4 tetrahedra and edges with two equivalent SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.04–2.21 Å. In the fourth Li1+ site, Li1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.58 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share edges with two equivalent LiO6 octahedra. All Si–O bond lengths are 1.66 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 edges with two equivalent LiO6 octahedra. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four LiO6 octahedra. The corner-sharing octahedra tilt angles range from 35–39°. There is two shorter (1.55 Å) and two longer (1.57 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+ and one P5+ atom to form a mixture of distorted edge and corner-sharing OLi3P trigonal pyramids. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five Li1+ and one Si4+ atom. In the third O2- site, O2- is bonded to three Li1+ and one P5+ atom to form a mixture of edge and corner-sharing OLi3P trigonal pyramids. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to five Li1+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to five Li1+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and one P5+ atom.
DOI: 10.17188/1284954
title: Materials Data on Li10Ge(PSe6)2 by Materials Project

description: Li10Ge(PSe6)2 crystallizes in the tetragonal P4_2mc space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Li–Se bond distances ranging from 2.54–2.89 Å. In the second Li1+ site, Li1+ is bonded to six Se2- atoms to form LiSe6 octahedra that share corners with two equivalent PSe4 tetrahedra, edges with two equivalent PSe4 tetrahedra, and edges with four equivalent LiSe5 trigonal bipyramids. There are a spread of Li–Se bond distances ranging from 2.76–2.84 Å. In the third Li1+ site, Li1+ is bonded to six Se2- atoms to form LiSe6 octahedra that share corners with two equivalent PSe4 tetrahedra, edges with two equivalent GeSe4 tetrahedra, and faces with four equivalent LiSe5 trigonal bipyramids. There are a spread of Li–Se bond distances ranging from 2.77–2.93 Å. In the fourth Li1+ site, Li1+ is bonded to five Se2- atoms to form distorted LiSe5 trigonal bipyramids that share a cornercorner with one PSe4 tetrahedra, corners with two equivalent GeSe4 tetrahedra, corners with three equivalent LiSe5 trigonal bipyramids, an edgeedge with one LiSe6 octahedra, an edgeedge with one PSe4 tetrahedra, an edgeedge with one LiSe5 trigonal bipyramid, and a faceface with one LiSe6 octahedra. There are a spread of Li–Se bond distances ranging from 2.52–3.08 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with eight equivalent LiSe5 trigonal bipyramids and edges with two equivalent LiSe6 octahedra. There are two shorter (2.39 Å) and two longer (2.41 Å) Ge–Se bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four Se2- atoms to form PSe4 tetrahedra that share corners with four equivalent LiSe5 trigonal bipyramids and edges with two equivalent LiSe6 octahedra. There are two shorter (2.22 Å) and two longer (2.25 Å) P–Se bond lengths. In the second P5+ site, P5+ is bonded to four Se2- atoms to form PSe4 tetrahedra that share corners with four LiSe6 octahedra and edges with four equivalent LiSe5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 43–50°. There are two shorter (2.22 Å) and two longer (2.24 Å) P–Se bond lengths. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three Li1+ and one P5+ atom to form a mixture of edge and corner-sharing SeLi3P trigonal pyramids. In the second Se2- site, Se2- is bonded in a distorted hexagonal planar geometry to five Li1+ and one Ge4+ atom. In the third Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to three Li1+ and one P5+ atom. In the fourth Se2- site, Se2- is bonded in a 6-coordinate geometry to five Li1+ and one Ge4+ atom. In the fifth Se2- site, Se2- is bonded in a 6-coordinate geometry to five Li1+ and one P5+ atom. In the sixth Se2- site, Se2- is bonded to three Li1+ and one P5+ atom to form distorted corner-sharing SeLi3P trigonal pyramids.
DOI: 10.17188/1284955
title: Materials Data on Li10Ge(PS6)2 by Materials Project

description: Li10GeP2S12 crystallizes in the tetragonal P4_2mc space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.41–2.76 Å. In the second Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with two equivalent PS4 tetrahedra, edges with two equivalent PS4 tetrahedra, and edges with four equivalent LiS5 trigonal bipyramids. There are a spread of Li–S bond distances ranging from 2.60–2.71 Å. In the third Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with two equivalent PS4 tetrahedra, edges with two equivalent GeS4 tetrahedra, and faces with four equivalent LiS5 trigonal bipyramids. There are a spread of Li–S bond distances ranging from 2.60–2.80 Å. In the fourth Li1+ site, Li1+ is bonded to five S2- atoms to form distorted LiS5 trigonal bipyramids that share a cornercorner with one PS4 tetrahedra, corners with two equivalent GeS4 tetrahedra, corners with three equivalent LiS5 trigonal bipyramids, an edgeedge with one LiS6 octahedra, an edgeedge with one PS4 tetrahedra, an edgeedge with one LiS5 trigonal bipyramid, and a faceface with one LiS6 octahedra. There are a spread of Li–S bond distances ranging from 2.39–2.92 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with eight equivalent LiS5 trigonal bipyramids and edges with two equivalent LiS6 octahedra. There are two shorter (2.24 Å) and two longer (2.25 Å) Ge–S bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share corners with four equivalent LiS5 trigonal bipyramids and edges with two equivalent LiS6 octahedra. There are two shorter (2.04 Å) and two longer (2.07 Å) P–S bond lengths. In the second P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share corners with four LiS6 octahedra and edges with four equivalent LiS5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 42–48°. There are two shorter (2.04 Å) and two longer (2.07 Å) P–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded to three Li1+ and one P5+ atom to form edge-sharing SLi3P trigonal pyramids. In the second S2- site, S2- is bonded in a distorted hexagonal planar geometry to five Li1+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to three Li1+ and one P5+ atom. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to five Li1+ and one Ge4+ atom. In the fifth S2- site, S2- is bonded in a 6-coordinate geometry to five Li1+ and one P5+ atom. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to three Li1+ and one P5+ atom.
DOI: 10.17188/1284956
title: Materials Data on Li10Si(PS6)2 by Materials Project

description: Li10SiP2S12 crystallizes in the tetragonal P4_2mc space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.39–2.72 Å. In the second Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with two equivalent PS4 tetrahedra, edges with two equivalent PS4 tetrahedra, and edges with four equivalent LiS5 trigonal bipyramids. There are a spread of Li–S bond distances ranging from 2.60–2.70 Å. In the third Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with two equivalent PS4 tetrahedra, edges with two equivalent SiS4 tetrahedra, and faces with four equivalent LiS5 trigonal bipyramids. There are a spread of Li–S bond distances ranging from 2.58–2.79 Å. In the fourth Li1+ site, Li1+ is bonded to five S2- atoms to form distorted LiS5 trigonal bipyramids that share a cornercorner with one PS4 tetrahedra, corners with two equivalent SiS4 tetrahedra, corners with three equivalent LiS5 trigonal bipyramids, an edgeedge with one LiS6 octahedra, an edgeedge with one PS4 tetrahedra, an edgeedge with one LiS5 trigonal bipyramid, and a faceface with one LiS6 octahedra. There are a spread of Li–S bond distances ranging from 2.39–2.92 Å. Si4+ is bonded to four S2- atoms to form SiS4 tetrahedra that share corners with eight equivalent LiS5 trigonal bipyramids and edges with two equivalent LiS6 octahedra. There are two shorter (2.15 Å) and two longer (2.16 Å) Si–S bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share corners with four equivalent LiS5 trigonal bipyramids and edges with two equivalent LiS6 octahedra. There are two shorter (2.05 Å) and two longer (2.07 Å) P–S bond lengths. In the second P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share corners with four LiS6 octahedra and edges with four equivalent LiS5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 42–48°. There are two shorter (2.04 Å) and two longer (2.07 Å) P–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded to three Li1+ and one P5+ atom to form edge-sharing SLi3P trigonal pyramids. In the second S2- site, S2- is bonded in a distorted hexagonal planar geometry to five Li1+ and one Si4+ atom. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to three Li1+ and one P5+ atom. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to five Li1+ and one Si4+ atom. In the fifth S2- site, S2- is bonded in a 6-coordinate geometry to five Li1+ and one P5+ atom. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to three Li1+ and one P5+ atom.
DOI: 10.17188/1284957
title: Materials Data on Li10Ge(PO6)2 by Materials Project

description: Li10Ge(PO6)2 crystallizes in the tetragonal P4_2mc space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.93–2.33 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent PO4 tetrahedra and edges with two equivalent PO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.12–2.23 Å. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent PO4 tetrahedra and edges with two equivalent GeO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.08–2.21 Å. In the fourth Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.20 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share edges with two equivalent LiO6 octahedra. There is two shorter (1.78 Å) and two longer (1.79 Å) Ge–O bond length. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share edges with two equivalent LiO6 octahedra. There is two shorter (1.55 Å) and two longer (1.57 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four LiO6 octahedra. The corner-sharing octahedra tilt angles range from 34–39°. There is two shorter (1.55 Å) and two longer (1.58 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+ and one P5+ atom to form a mixture of distorted corner and edge-sharing OLi3P trigonal pyramids. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five Li1+ and one Ge4+ atom. In the third O2- site, O2- is bonded to three Li1+ and one P5+ atom to form a mixture of corner and edge-sharing OLi3P trigonal pyramids. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to five Li1+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and one P5+ atom.
DOI: 10.17188/1284958
title: Materials Data on Zr5ZnPb3 by Materials Project

description: Zr5ZnPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Zr–Pb bond lengths are 3.13 Å. In the second Zr site, Zr is bonded to two equivalent Zn and five equivalent Pb atoms to form a mixture of distorted face, edge, and corner-sharing ZrZn2Pb5 pentagonal bipyramids. Both Zr–Zn bond lengths are 2.79 Å. There are a spread of Zr–Pb bond distances ranging from 3.01–3.15 Å. Zn is bonded to six equivalent Zr atoms to form distorted face-sharing ZnZr6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Zr atoms.
DOI: 10.17188/1284959
title: Materials Data on Li10Sn(PO6)2 by Materials Project

description: Li10Sn(PO6)2 crystallizes in the tetragonal P4_2mc space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.57 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent PO4 tetrahedra and edges with two equivalent PO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.17–2.28 Å. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent PO4 tetrahedra and edges with two equivalent SnO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.11–2.25 Å. In the fourth Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.14 Å. Sn4+ is bonded to four O2- atoms to form SnO4 tetrahedra that share edges with two equivalent LiO6 octahedra. There is two shorter (1.97 Å) and two longer (1.99 Å) Sn–O bond length. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share edges with two equivalent LiO6 octahedra. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four LiO6 octahedra. The corner-sharing octahedra tilt angles range from 34–40°. There is two shorter (1.55 Å) and two longer (1.58 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+ and one P5+ atom to form distorted edge-sharing OLi3P trigonal pyramids. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five Li1+ and one Sn4+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Li1+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted hexagonal planar geometry to five Li1+ and one Sn4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and one P5+ atom.