cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1301491
title: Materials Data on Ba4Y2Cu5O14 by Materials Project

description: Ba4Y2Cu5O14 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.81–3.15 Å. In the second Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.77–3.07 Å. Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.34–2.52 Å. There are five inequivalent Cu+2.80+ sites. In the first Cu+2.80+ site, Cu+2.80+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.82–1.95 Å. In the second Cu+2.80+ site, Cu+2.80+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.84–1.95 Å. In the third Cu+2.80+ site, Cu+2.80+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.96–2.40 Å. In the fourth Cu+2.80+ site, Cu+2.80+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are four shorter (1.95 Å) and one longer (2.46 Å) Cu–O bond lengths. In the fifth Cu+2.80+ site, Cu+2.80+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. All Cu–O bond lengths are 1.84 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+, two equivalent Y3+, and one Cu+2.80+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Ba2+ and two Cu+2.80+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Y3+, and two Cu+2.80+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to four Ba2+ and two Cu+2.80+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+, two equivalent Y3+, and one Cu+2.80+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Ba2+ and one Cu+2.80+ atom. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+, two equivalent Y3+, and one Cu+2.80+ atom. In the eighth O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Y3+, and two Cu+2.80+ atoms. In the ninth O2- site, O2- is bonded to four equivalent Ba2+ and two Cu+2.80+ atoms to form distorted corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 15°. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Ba2+ and one Cu+2.80+ atom. In the eleventh O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Y3+, and two Cu+2.80+ atoms.
DOI: 10.17188/1301492
title: Materials Data on K3CuPCO7 by Materials Project

description: K3CuCPO7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.71–2.91 Å. In the second K1+ site, K1+ is bonded to seven O2- atoms to form distorted KO7 pentagonal bipyramids that share a cornercorner with one CuO6 octahedra, corners with two equivalent KO7 pentagonal bipyramids, corners with two equivalent PO4 tetrahedra, an edgeedge with one CuO6 octahedra, an edgeedge with one KO7 pentagonal bipyramid, an edgeedge with one PO4 tetrahedra, a faceface with one CuO6 octahedra, and a faceface with one KO7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 71°. There are a spread of K–O bond distances ranging from 2.61–2.85 Å. Cu2+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share corners with two equivalent KO7 pentagonal bipyramids, corners with four equivalent PO4 tetrahedra, edges with two equivalent KO7 pentagonal bipyramids, and faces with two equivalent KO7 pentagonal bipyramids. There are a spread of Cu–O bond distances ranging from 1.91–2.41 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.32 Å) C–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent CuO6 octahedra, corners with four equivalent KO7 pentagonal bipyramids, and edges with two equivalent KO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 29–42°. There are a spread of P–O bond distances ranging from 1.55–1.58 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three K1+, one Cu2+, and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three K1+, one Cu2+, and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+, one Cu2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Cu2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent K1+, one Cu2+, and one P5+ atom.
DOI: 10.17188/1301493
title: Materials Data on SrLu2O4 by Materials Project

description: SrLu2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.83 Å. There are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing LuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are a spread of Lu–O bond distances ranging from 2.21–2.28 Å. In the second Lu3+ site, Lu3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing LuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are a spread of Lu–O bond distances ranging from 2.18–2.30 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Lu3+ atoms. In the second O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Lu3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Lu3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Lu3+ atoms to form a mixture of edge and corner-sharing OSr2Lu3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Lu3+ atoms.
DOI: 10.17188/1301494
title: Materials Data on Rb3LuO3 by Materials Project

description: Rb3LuO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted RbO4 tetrahedra that share corners with five equivalent LuO4 tetrahedra and an edgeedge with one RbO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.86–3.09 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.44 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.72–3.19 Å. Lu3+ is bonded to four O2- atoms to form LuO4 tetrahedra that share corners with five equivalent RbO4 tetrahedra and an edgeedge with one LuO4 tetrahedra. There are a spread of Lu–O bond distances ranging from 2.05–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+ and one Lu3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two equivalent Lu3+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one Lu3+ atom.
DOI: 10.17188/1301495
title: Materials Data on Li3Cu3TeO8 by Materials Project

description: Li3Cu3TeO8 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent CuO6 octahedra, edges with two equivalent TeO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with four equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 10–12°. There are four shorter (2.13 Å) and two longer (2.30 Å) Li–O bond lengths. Cu+2.33+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with two equivalent TeO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with four equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 10–12°. There are two shorter (1.99 Å) and four longer (2.16 Å) Cu–O bond lengths. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share edges with six equivalent LiO6 octahedra and edges with six equivalent CuO6 octahedra. All Te–O bond lengths are 1.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Cu+2.33+ atoms to form OLi3Cu3 octahedra that share corners with six equivalent OLi3Cu3 octahedra and edges with twelve equivalent OLi2Cu2Te square pyramids. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to two equivalent Li1+, two equivalent Cu+2.33+, and one Te6+ atom to form OLi2Cu2Te square pyramids that share corners with nine equivalent OLi2Cu2Te square pyramids, edges with four equivalent OLi3Cu3 octahedra, and edges with four equivalent OLi2Cu2Te square pyramids.
DOI: 10.17188/1301496
title: Materials Data on Y2HfO5 by Materials Project

description: Y2HfO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.29–2.62 Å. In the second Y3+ site, Y3+ is bonded to six O2- atoms to form YO6 octahedra that share corners with two equivalent YO6 octahedra, corners with four equivalent HfO6 octahedra, and edges with two equivalent YO6 octahedra. The corner-sharing octahedra tilt angles range from 54–64°. There are a spread of Y–O bond distances ranging from 2.21–2.40 Å. Hf4+ is bonded to six O2- atoms to form HfO6 octahedra that share corners with two equivalent HfO6 octahedra, corners with four equivalent YO6 octahedra, and edges with two equivalent HfO6 octahedra. The corner-sharing octahedra tilt angles range from 36–64°. There are a spread of Hf–O bond distances ranging from 1.99–2.30 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Y3+ atoms to form OY4 tetrahedra that share corners with ten OY4 tetrahedra and edges with three OY3Hf tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Hf4+ atoms. In the third O2- site, O2- is bonded to three Y3+ and one Hf4+ atom to form a mixture of distorted edge and corner-sharing OY3Hf tetrahedra. In the fourth O2- site, O2- is bonded to three equivalent Y3+ and one Hf4+ atom to form a mixture of edge and corner-sharing OY3Hf tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Y3+ and one Hf4+ atom.
DOI: 10.17188/1301497
title: Materials Data on Ta2BeO6 by Materials Project

description: BeTa2O6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Be2+ is bonded in a trigonal planar geometry to three O2- atoms. All Be–O bond lengths are 1.58 Å. Ta5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 36–56°. There are a spread of Ta–O bond distances ranging from 1.92–2.13 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Be2+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Be2+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms.
DOI: 10.17188/1301498
title: Materials Data on K2LiTi2(AsO5)2 by Materials Project

description: K2LiTi2(AsO5)2 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 3-coordinate geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.72–2.79 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.07 Å. Li1+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.31 Å. There are two inequivalent Ti+3.50+ sites. In the first Ti+3.50+ site, Ti+3.50+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share corners with two equivalent TiO6 octahedra and corners with four AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Ti–O bond distances ranging from 1.82–2.29 Å. In the second Ti+3.50+ site, Ti+3.50+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with two equivalent TiO6 octahedra and corners with four AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Ti–O bond distances ranging from 1.97–2.08 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four TiO6 octahedra. The corner-sharing octahedra tilt angles range from 53–59°. All As–O bond lengths are 1.73 Å. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four TiO6 octahedra. The corner-sharing octahedra tilt angles range from 50–57°. There are a spread of As–O bond distances ranging from 1.72–1.75 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Ti+3.50+, and one As5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two K1+, one Ti+3.50+, and one As5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and two Ti+3.50+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two K1+ and two Ti+3.50+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+, one Li1+, one Ti+3.50+, and one As5+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, one Li1+, one Ti+3.50+, and one As5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Li1+, one Ti+3.50+, and one As5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Li1+, one Ti+3.50+, and one As5+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+, one Ti+3.50+, and one As5+ atom. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to one Ti+3.50+ and one As5+ atom.
DOI: 10.17188/1301500
title: Materials Data on K2LuPCO7 by Materials Project

description: K2LuCPO7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.56–3.23 Å. Lu3+ is bonded to six O2- atoms to form LuO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Lu–O bond distances ranging from 2.16–2.28 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.26–1.33 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent LuO6 octahedra. The corner-sharing octahedra tilt angles range from 37–39°. 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 in a 1-coordinate geometry to two equivalent K1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent K1+, one Lu3+, and one C4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Lu3+, and one C4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Lu3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Lu3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Lu3+, and one P5+ atom.
DOI: 10.17188/1301501
title: Materials Data on Y2HfO5 by Materials Project

description: Y2HfO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 hexagonal pyramids that share corners with two equivalent YO7 hexagonal pyramids, corners with three equivalent HfO5 trigonal bipyramids, edges with five YO7 hexagonal pyramids, and edges with two equivalent HfO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.32–2.41 Å. In the second Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 hexagonal pyramids that share corners with two equivalent YO7 hexagonal pyramids, a cornercorner with one HfO5 trigonal bipyramid, edges with seven YO7 hexagonal pyramids, and edges with two equivalent HfO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.35–2.41 Å. Hf4+ is bonded to five O2- atoms to form distorted HfO5 trigonal bipyramids that share corners with four YO7 hexagonal pyramids, corners with two equivalent HfO5 trigonal bipyramids, and edges with four YO7 hexagonal pyramids. There are a spread of Hf–O bond distances ranging from 1.95–2.04 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Hf4+ atom. In the third O2- site, O2- is bonded to three Y3+ and one Hf4+ atom to form distorted OY3Hf tetrahedra that share corners with nine OY4 tetrahedra and edges with five OY3Hf tetrahedra. In the fourth O2- site, O2- is bonded to two Y3+ and two equivalent Hf4+ atoms to form distorted OY2Hf2 tetrahedra that share corners with six OY4 tetrahedra and edges with five OY3Hf tetrahedra. In the fifth O2- site, O2- is bonded to three Y3+ and one Hf4+ atom to form OY3Hf tetrahedra that share corners with nine OY4 tetrahedra and edges with four OY3Hf tetrahedra.
DOI: 10.17188/1301502
title: Materials Data on K2NdPCO7 by Materials Project

description: K2NdCPO7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.57–3.10 Å. Nd3+ is bonded to six O2- atoms to form distorted NdO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Nd–O bond distances ranging from 2.35–2.48 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.26–1.33 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent NdO6 octahedra. The corner-sharing octahedra tilt angles range from 39–58°. 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 in a 3-coordinate geometry to two equivalent K1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to two equivalent K1+, one Nd3+, and one C4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Nd3+, and one C4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Nd3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Nd3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one Nd3+, and one P5+ atom.
DOI: 10.17188/1301503
title: Materials Data on Er(ReO4)3 by Materials Project

description: Er(ReO4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Er3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Er–O bond distances ranging from 2.25–2.65 Å. Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Re–O bond distances ranging from 1.72–1.78 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Er3+ and one Re7+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one Re7+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Er3+ and one Re7+ atom.
DOI: 10.17188/1301504
title: Materials Data on Sm2Ge2O7 by Materials Project

description: Sm2Ge2O7 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Sm3+ is bonded to seven O2- atoms to form distorted SmO7 pentagonal bipyramids that share corners with five equivalent GeO4 tetrahedra, edges with five equivalent SmO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of Sm–O bond distances ranging from 2.29–2.62 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with five equivalent SmO7 pentagonal bipyramids, a cornercorner with one GeO4 tetrahedra, and an edgeedge with one SmO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.75–1.81 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sm3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sm3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ge4+ atoms.