cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1298535
title: Materials Data on Bi6B10O21 by Materials Project

description: B10Bi6O21 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent B+2.40+ sites. In the first B+2.40+ site, B+2.40+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.42–1.55 Å. In the second B+2.40+ site, B+2.40+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.40 Å) B–O bond length. In the third B+2.40+ site, B+2.40+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.41 Å. In the fourth B+2.40+ site, B+2.40+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.44–1.51 Å. In the fifth B+2.40+ site, B+2.40+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.40 Å) B–O bond length. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.81 Å. In the second Bi3+ site, Bi3+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 2.40–2.99 Å. In the third Bi3+ site, Bi3+ is bonded in a distorted water-like geometry to two O2- atoms. There are one shorter (2.22 Å) and one longer (2.23 Å) Bi–O bond lengths. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one B+2.40+ and two Bi3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent B+2.40+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one B+2.40+ and three Bi3+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two B+2.40+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two B+2.40+ and one Bi3+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two B+2.40+ and one Bi3+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one B+2.40+ and two equivalent Bi3+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one B+2.40+ and one Bi3+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two B+2.40+ atoms. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to two B+2.40+ atoms. In the eleventh O2- site, O2- is bonded in a bent 120 degrees geometry to two B+2.40+ atoms.
DOI: 10.17188/1298536
title: Materials Data on Y2GeO5 by Materials Project

description: Y2GeO5 crystallizes in the monoclinic P2_1/c 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 pentagonal bipyramids that share corners with four equivalent GeO4 tetrahedra, edges with three equivalent YO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of Y–O bond distances ranging from 2.28–2.47 Å. In the second 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 2.24–2.56 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent YO7 pentagonal bipyramids and an edgeedge with one YO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.74–1.82 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Y3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Y3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Y3+ and one Ge4+ atom.
DOI: 10.17188/1298537
title: Materials Data on Li6B4O9 by Materials Project

description: Li6B4O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.01 Å. In the second 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 1.86–2.37 Å. In the third Li1+ site, Li1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.99–2.12 Å. In the fourth Li1+ site, Li1+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.91 Å) and two longer (1.97 Å) Li–O bond length. In the fifth Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 2.00–2.34 Å. In the sixth Li1+ site, Li1+ is bonded to four O2- atoms to form distorted corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.14 Å. There are four inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.47 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.44 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.33 Å) and two longer (1.42 Å) B–O bond length. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.35 Å) and two longer (1.41 Å) B–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and one B3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and one B3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two B3+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one B3+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two B3+ atoms. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one B3+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal bipyramidal geometry to four Li1+ and one B3+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two B3+ atoms.
DOI: 10.17188/1298538
title: Materials Data on Na2Bi2C4SO16 by Materials Project

description: Na2C4Bi2SO16 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share edges with two equivalent BiO6 octahedra and an edgeedge with one SO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.48–2.63 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.28 Å) and two longer (1.30 Å) C–O bond length. Bi4+ is bonded to six O2- atoms to form BiO6 octahedra that share edges with two equivalent NaO6 octahedra. There are four shorter (2.36 Å) and two longer (2.37 Å) Bi–O bond lengths. S6+ is bonded to four equivalent O2- atoms to form SO4 tetrahedra that share edges with two equivalent NaO6 octahedra. All S–O bond lengths are 1.49 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one C4+, and one Bi4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one C4+ and one Bi4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one C4+, and one Bi4+ atom. In the fourth O2- site, O2- is bonded in a distorted L-shaped geometry to one Na1+ and one S6+ atom.
DOI: 10.17188/1298540
title: Materials Data on CuReO4 by Materials Project

description: CuReO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share a cornercorner with one CuO6 octahedra and corners with two equivalent CuO5 square pyramids. The corner-sharing octahedral tilt angles are 5°. There are a spread of Re–O bond distances ranging from 1.75–1.78 Å. In the second Re7+ site, Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with two equivalent CuO6 octahedra and corners with two equivalent CuO5 square pyramids. The corner-sharing octahedra tilt angles range from 30–56°. There are a spread of Re–O bond distances ranging from 1.74–1.80 Å. In the third Re7+ site, Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with three equivalent CuO6 octahedra and a cornercorner with one CuO5 square pyramid. The corner-sharing octahedra tilt angles range from 21–47°. There are a spread of Re–O bond distances ranging from 1.76–1.80 Å. There are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.98–2.18 Å. In the second Cu1+ site, Cu1+ is bonded to five O2- atoms to form distorted CuO5 square pyramids that share corners with five ReO4 tetrahedra and an edgeedge with one CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.96–2.37 Å. In the third Cu1+ site, Cu1+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six ReO4 tetrahedra and an edgeedge with one CuO5 square pyramid. There are a spread of Cu–O bond distances ranging from 1.97–2.39 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Re7+ and one Cu1+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Re7+ and one Cu1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Re7+ and two Cu1+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to one Re7+ and one Cu1+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to one Re7+ and one Cu1+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re7+ and one Cu1+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Re7+ and two Cu1+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Re7+ and two Cu1+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Re7+ and two Cu1+ atoms. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Re7+ and one Cu1+ atom. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Re7+ and one Cu1+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to one Re7+ and one Cu1+ atom.
DOI: 10.17188/1298541
title: Materials Data on Sn2(SO4)3 by Materials Project

description: Sn2(SO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sn3+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.22 Å) and three longer (2.26 Å) Sn–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 23–41°. There is two shorter (1.49 Å) and two longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn3+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn3+ and one S6+ atom.
DOI: 10.17188/1298542
title: Materials Data on Li4B2O5 by Materials Project

description: Li4B2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.98–2.35 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.10 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.44 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Li1+ and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Li1+ and one B3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent B3+ atoms.
DOI: 10.17188/1298543
title: Materials Data on Y(BO2)3 by Materials Project

description: Y(BO2)3 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.30–2.52 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.43–1.56 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There is three shorter (1.46 Å) and one longer (1.55 Å) B–O bond length. In the third B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.50 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Y3+ and two B3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Y3+ and two B3+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Y3+ and one B3+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Y3+ and two equivalent B3+ atoms.
DOI: 10.17188/1298544
title: Materials Data on YHoO3 by Materials Project

description: HoYO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. Ho3+ is bonded to five O2- atoms to form corner-sharing HoO5 trigonal bipyramids. There are a spread of Ho–O bond distances ranging from 2.17–2.22 Å. 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 six shorter (2.37 Å) and one longer (2.65 Å) Y–O bond lengths. In the second 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 2.31–2.53 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ho3+ and three Y3+ atoms to form OY3Ho tetrahedra that share corners with twelve OYHo3 tetrahedra, edges with three equivalent OY3Ho tetrahedra, and edges with two equivalent OYHo3 trigonal pyramids. In the second O2- site, O2- is bonded to one Ho3+ and three Y3+ atoms to form distorted OY3Ho tetrahedra that share corners with ten OY3Ho tetrahedra, corners with four equivalent OYHo3 trigonal pyramids, and edges with four OYHo3 tetrahedra. In the third O2- site, O2- is bonded to three equivalent Ho3+ and one Y3+ atom to form distorted OYHo3 trigonal pyramids that share corners with nine OYHo3 tetrahedra, corners with three equivalent OYHo3 trigonal pyramids, and edges with three equivalent OY3Ho tetrahedra. In the fourth O2- site, O2- is bonded to three equivalent Ho3+ and one Y3+ atom to form distorted OYHo3 tetrahedra that share corners with six equivalent OY3Ho tetrahedra, corners with six equivalent OYHo3 trigonal pyramids, and edges with three equivalent OY3Ho tetrahedra.
DOI: 10.17188/1298545
title: Materials Data on Li4B2O5 by Materials Project

description: Li4B2O5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with two equivalent BO4 tetrahedra, and edges with two LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.11 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with three equivalent BO4 tetrahedra, and edges with two LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.90–2.09 Å. In the third 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 1.98–2.02 Å. In the fourth Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.42 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with five LiO4 tetrahedra and an edgeedge with one BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.41–1.56 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.38–1.42 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one B3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Li1+ and two B3+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and two equivalent B3+ atoms.
DOI: 10.17188/1298546
title: Materials Data on Mg2(TeO3)3 by Materials Project

description: Mg2(TeO3)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Mg–O bond distances ranging from 2.10–2.51 Å. In the second Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.17–2.25 Å. There are three inequivalent Te+4.67+ sites. In the first Te+4.67+ site, Te+4.67+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of Te–O bond distances ranging from 1.90–2.00 Å. In the second Te+4.67+ site, Te+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.55 Å. In the third Te+4.67+ site, Te+4.67+ is bonded in a 3-coordinate geometry to three O2- atoms. There is two shorter (1.93 Å) and one longer (1.95 Å) Te–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te+4.67+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te+4.67+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Te+4.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mg2+ and one Te+4.67+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mg2+ and one Te+4.67+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+ and two Te+4.67+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Mg2+ and two Te+4.67+ atoms. In the eighth O2- site, O2- is bonded to three Mg2+ and one Te+4.67+ atom to form a mixture of distorted edge and corner-sharing OMg3Te tetrahedra. In the ninth O2- site, O2- is bonded to three Mg2+ and one Te+4.67+ atom to form a mixture of distorted edge and corner-sharing OMg3Te tetrahedra.
DOI: 10.17188/1298547
title: Materials Data on YBrO by Materials Project

description: YOBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one YOBr sheet oriented in the (0, 0, 1) direction. Y3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Y–O bond lengths are 2.24 Å. All Y–Br bond lengths are 3.21 Å. O2- is bonded to four equivalent Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent Y3+ atoms.
DOI: 10.17188/1298548
title: Materials Data on Sr3TeO6 by Materials Project

description: Sr3TeO6 is Ilmenite-like structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 27–30°. There are three shorter (2.40 Å) and three longer (2.49 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.56 Å) and three longer (2.73 Å) Sr–O bond lengths. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.50 Å) and three longer (2.81 Å) Sr–O bond lengths. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent SrO6 octahedra. The corner-sharing octahedra tilt angles range from 27–30°. All Te–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Te6+ atom.
DOI: 10.17188/1298549
title: Materials Data on Ho2TeO2 by Materials Project

description: Ho2TeO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ho3+ is bonded in a 4-coordinate geometry to three equivalent Te2- and four equivalent O2- atoms. All Ho–Te bond lengths are 3.15 Å. There are one shorter (2.26 Å) and three longer (2.31 Å) Ho–O bond lengths. Te2- is bonded in a 12-coordinate geometry to six equivalent Ho3+ atoms. O2- is bonded to four equivalent Ho3+ atoms to form a mixture of edge and corner-sharing OHo4 tetrahedra.