cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1190846
title: Materials Data on Li7PN4 by Materials Project

description: Li7PN4 crystallizes in the cubic P-43n space group. The structure is three-dimensional. there are five inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. All Li–N bond lengths are 1.99 Å. In the second Li1+ site, Li1+ is bonded to four equivalent N3- atoms to form LiN4 tetrahedra that share corners with four equivalent PN4 tetrahedra, corners with twelve LiN4 tetrahedra, and edges with four equivalent LiN4 tetrahedra. All Li–N bond lengths are 2.12 Å. In the third Li1+ site, Li1+ is bonded to four N3- atoms to form distorted LiN4 tetrahedra that share corners with four PN4 tetrahedra, corners with nine LiN4 tetrahedra, and edges with six equivalent LiN4 tetrahedra. There are one shorter (1.99 Å) and three longer (2.26 Å) Li–N bond lengths. In the fourth Li1+ site, Li1+ is bonded to four N3- atoms to form distorted LiN4 tetrahedra that share corners with two equivalent PN4 tetrahedra, corners with fourteen LiN4 tetrahedra, an edgeedge with one PN4 tetrahedra, and edges with four equivalent LiN4 tetrahedra. There are two shorter (2.05 Å) and two longer (2.18 Å) Li–N bond lengths. In the fifth Li1+ site, Li1+ is bonded to four N3- atoms to form distorted LiN4 tetrahedra that share corners with two PN4 tetrahedra, corners with eleven LiN4 tetrahedra, an edgeedge with one PN4 tetrahedra, and edges with five LiN4 tetrahedra. There are a spread of Li–N bond distances ranging from 2.00–2.24 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four equivalent N3- atoms to form PN4 tetrahedra that share corners with sixteen LiN4 tetrahedra and edges with six equivalent LiN4 tetrahedra. All P–N bond lengths are 1.68 Å. In the second P5+ site, P5+ is bonded to four N3- atoms to form PN4 tetrahedra that share corners with sixteen LiN4 tetrahedra and edges with four equivalent LiN4 tetrahedra. All P–N bond lengths are 1.70 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted body-centered cubic geometry to seven Li1+ and one P5+ atom. In the second N3- site, N3- is bonded in a distorted body-centered cubic geometry to seven Li1+ and one P5+ atom. In the third N3- site, N3- is bonded in a distorted body-centered cubic geometry to seven Li1+ and one P5+ atom. There are a spread of N–Li bond distances ranging from 2.00–2.18 Å.
DOI: 10.17188/1190847
title: Materials Data on Pr2Au5F21 by Materials Project

description: Pr2Au5F21 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Pr–F bond distances ranging from 2.30–2.55 Å. There are three inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.93–1.99 Å. In the second Au3+ site, Au3+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There is one shorter (1.96 Å) and three longer (1.97 Å) Au–F bond length. In the third Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.96 Å) and two longer (1.97 Å) Au–F bond length. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one Au3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Pr3+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Pr3+ and one Au3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Au3+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one Au3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Au3+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Pr3+ and one Au3+ atom. In the eighth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one Au3+ atom. In the ninth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one Au3+ atom. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to one Pr3+ and one Au3+ atom. In the eleventh F1- site, F1- is bonded in a distorted linear geometry to one Pr3+ and one Au3+ atom.
DOI: 10.17188/1190848
title: Materials Data on Nd2Au5F21 by Materials Project

description: Nd2Au5F21 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Nd–F bond distances ranging from 2.28–2.56 Å. There are three inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.93–1.99 Å. In the second Au3+ site, Au3+ is bonded in a square co-planar geometry to four F1- atoms. There is one shorter (1.96 Å) and three longer (1.97 Å) Au–F bond length. In the third Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.96 Å) and two longer (1.97 Å) Au–F bond length. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and one Au3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Nd3+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Nd3+ and one Au3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Au3+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and one Au3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Au3+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Nd3+ and one Au3+ atom. In the eighth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and one Au3+ atom. In the ninth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and one Au3+ atom. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to one Nd3+ and one Au3+ atom. In the eleventh F1- site, F1- is bonded in a distorted linear geometry to one Nd3+ and one Au3+ atom.
DOI: 10.17188/1190849
title: Materials Data on ZrB2 by Materials Project

description: ZrB2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Zr is bonded to twelve equivalent B atoms to form a mixture of edge and face-sharing ZrB12 cuboctahedra. All Zr–B bond lengths are 2.55 Å. B is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent B atoms. All B–B bond lengths are 1.84 Å.
DOI: 10.17188/1190850
title: Materials Data on KSiSbO5 by Materials Project

description: KSbOSiO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.18 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.50 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four SbO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. There is one shorter (1.64 Å) and three longer (1.65 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four SbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–51°. There is one shorter (1.64 Å) and three longer (1.65 Å) Si–O bond length. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Sb–O bond distances ranging from 1.99–2.05 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Sb–O bond distances ranging from 1.99–2.04 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one Si4+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one Si4+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Si4+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Si4+, and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+, one Si4+, and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one Si4+, and one Sb5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one Si4+, and one Sb5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two K1+ and two Sb5+ atoms. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+, one Si4+, and one Sb5+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two K1+ and two Sb5+ atoms.
DOI: 10.17188/1190851
title: Materials Data on NaSrAlF6 by Materials Project

description: NaSrAlF6 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.25–2.78 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.25–2.56 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–2.74 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–2.84 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Al–F bond distances ranging from 1.81–1.86 Å. In the second Al3+ site, Al3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Al–F bond distances ranging from 1.81–1.86 Å. There are twelve inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted T-shaped geometry to one Na1+, one Sr2+, and one Al3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Na1+, two Sr2+, and one Al3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two Na1+, one Sr2+, and one Al3+ atom. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+, one Sr2+, and one Al3+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+, one Sr2+, and one Al3+ atom. In the sixth F1- site, F1- is bonded in a 1-coordinate geometry to one Na1+, one Sr2+, and one Al3+ atom. In the seventh F1- site, F1- is bonded in a 1-coordinate geometry to two Sr2+ and one Al3+ atom. In the eighth F1- site, F1- is bonded in a 1-coordinate geometry to one Na1+, two Sr2+, and one Al3+ atom. In the ninth F1- site, F1- is bonded in a 4-coordinate geometry to two Na1+, one Sr2+, and one Al3+ atom. In the tenth F1- site, F1- is bonded in a 1-coordinate geometry to two Na1+, one Sr2+, and one Al3+ atom. In the eleventh F1- site, F1- is bonded in a 1-coordinate geometry to one Na1+, two Sr2+, and one Al3+ atom. In the twelfth F1- site, F1- is bonded in a 4-coordinate geometry to two Na1+, one Sr2+, and one Al3+ atom.
DOI: 10.17188/1190852
title: Materials Data on Na4TiO4 by Materials Project

description: Na4TiO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 tetrahedra that share corners with four NaO5 square pyramids, corners with four equivalent TiO4 tetrahedra, and edges with two equivalent NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.32–2.38 Å. In the second Na1+ site, Na1+ is bonded to five O2- atoms to form NaO5 square pyramids that share corners with three equivalent NaO5 square pyramids, a cornercorner with one TiO4 tetrahedra, corners with two equivalent NaO4 tetrahedra, edges with five NaO5 square pyramids, and edges with two equivalent TiO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.39–2.56 Å. In the third Na1+ site, Na1+ is bonded to five O2- atoms to form NaO5 square pyramids that share corners with three equivalent NaO5 square pyramids, corners with two equivalent NaO4 tetrahedra, corners with three equivalent TiO4 tetrahedra, edges with five NaO5 square pyramids, and an edgeedge with one TiO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.40–2.54 Å. In the fourth Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.33–2.40 Å. Ti4+ is bonded to four O2- atoms to form TiO4 tetrahedra that share corners with four NaO5 square pyramids, corners with four equivalent NaO4 tetrahedra, and edges with three NaO5 square pyramids. There are a spread of Ti–O bond distances ranging from 1.83–1.85 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one Ti4+ atom to form distorted ONa5Ti octahedra that share corners with two equivalent ONa5Ti octahedra, corners with six equivalent ONa3Ti trigonal pyramids, and edges with six ONa5Ti octahedra. The corner-sharing octahedra tilt angles range from 12–15°. In the second O2- site, O2- is bonded to five Na1+ and one Ti4+ atom to form distorted ONa5Ti octahedra that share corners with two equivalent ONa5Ti octahedra, corners with two equivalent ONa3Ti trigonal pyramids, and edges with nine ONa5Ti octahedra. The corner-sharing octahedra tilt angles range from 12–27°. In the third O2- site, O2- is bonded to five Na1+ and one Ti4+ atom to form distorted ONa5Ti octahedra that share corners with four ONa5Ti octahedra, corners with two equivalent ONa3Ti trigonal pyramids, and edges with eight ONa5Ti octahedra. The corner-sharing octahedra tilt angles range from 12–27°. In the fourth O2- site, O2- is bonded to three Na1+ and one Ti4+ atom to form distorted ONa3Ti trigonal pyramids that share corners with ten ONa5Ti octahedra and an edgeedge with one ONa3Ti trigonal pyramid. The corner-sharing octahedra tilt angles range from 56–71°.
DOI: 10.17188/1190853
title: Materials Data on Fe7W6 by Materials Project

description: Fe7W6 is Frank-Kasper $\mu$ Phase structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent W sites. In the first W site, W is bonded in a 6-coordinate geometry to six equivalent W and six equivalent Fe atoms. There are three shorter (3.02 Å) and three longer (3.05 Å) W–W bond lengths. There are three shorter (2.71 Å) and three longer (2.76 Å) W–Fe bond lengths. In the second W site, W is bonded in a 12-coordinate geometry to four W and twelve Fe atoms. There are one shorter (2.67 Å) and three longer (2.86 Å) W–W bond lengths. There are a spread of W–Fe bond distances ranging from 2.72–2.86 Å. In the third W site, W is bonded in a 6-coordinate geometry to eight W and six equivalent Fe atoms. The W–W bond length is 2.56 Å. All W–Fe bond lengths are 2.62 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent W and six equivalent Fe atoms to form FeFe6W6 cuboctahedra that share corners with twelve equivalent FeFe5W7 cuboctahedra, edges with six equivalent FeFe6W6 cuboctahedra, and faces with eighteen equivalent FeFe5W7 cuboctahedra. All Fe–Fe bond lengths are 2.41 Å. In the second Fe site, Fe is bonded to seven W and five Fe atoms to form FeFe5W7 cuboctahedra that share corners with fifteen FeFe6W6 cuboctahedra, edges with five equivalent FeFe5W7 cuboctahedra, and faces with thirteen FeFe6W6 cuboctahedra. There are two shorter (2.36 Å) and two longer (2.40 Å) Fe–Fe bond lengths.
DOI: 10.17188/1190854
title: Materials Data on NaSiSbO5 by Materials Project

description: NaSiSbO5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.44–2.59 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.50–2.99 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four SbO6 octahedra. The corner-sharing octahedra tilt angles range from 46–57°. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four SbO6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There is two shorter (1.64 Å) and two longer (1.66 Å) Si–O bond length. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–55°. There are a spread of Sb–O bond distances ranging from 1.99–2.02 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–55°. There are a spread of Sb–O bond distances ranging from 1.97–2.03 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Si4+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+, one Si4+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Si4+ and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Si4+ and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Si4+, and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Si4+, and one Sb5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Si4+, and one Sb5+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two Sb5+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Si4+, and one Sb5+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to two Na1+ and two Sb5+ atoms.
DOI: 10.17188/1190873
title: Materials Data on CsCOF3 by Materials Project

description: CsCOF3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to three equivalent O2- and seven F1- atoms. There are a spread of Cs–O bond distances ranging from 3.12–3.20 Å. There are a spread of Cs–F bond distances ranging from 3.21–3.48 Å. C4+ is bonded in a tetrahedral geometry to one O2- and three F1- atoms. The C–O bond length is 1.23 Å. There are a spread of C–F bond distances ranging from 1.43–1.47 Å. O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one C4+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Cs1+ and one C4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to three equivalent Cs1+ and one C4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to three equivalent Cs1+ and one C4+ atom.
DOI: 10.17188/1190874
title: Materials Data on La2CuSnO6 by Materials Project

description: La2CuSnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.37–3.02 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.49–3.00 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.89 Å. In the fourth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.71 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with two equivalent SnO6 octahedra and corners with four CuO6 octahedra. The corner-sharing octahedra tilt angles range from 22–33°. There are a spread of Cu–O bond distances ranging from 1.99–2.48 Å. In the second Cu2+ site, Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with two equivalent SnO6 octahedra and corners with four CuO6 octahedra. The corner-sharing octahedra tilt angles range from 14–33°. There are a spread of Cu–O bond distances ranging from 1.98–2.48 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with two equivalent CuO6 octahedra and corners with four SnO6 octahedra. The corner-sharing octahedra tilt angles range from 33–44°. There are a spread of Sn–O bond distances ranging from 2.06–2.12 Å. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with two equivalent CuO6 octahedra and corners with four SnO6 octahedra. The corner-sharing octahedra tilt angles range from 33–44°. There are two shorter (2.07 Å) and four longer (2.11 Å) Sn–O bond lengths. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three La3+ and two Cu2+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three La3+, one Cu2+, and one Sn4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and two equivalent Cu2+ atoms. In the fourth O2- site, O2- is bonded to two La3+ and two equivalent Sn4+ atoms to form corner-sharing OLa2Sn2 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two equivalent Sn4+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to four La3+ and two equivalent Cu2+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two Sn4+ atoms. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to three La3+, one Cu2+, and one Sn4+ atom.