cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1269600
title: Materials Data on InBiO3 by Materials Project

description: BiInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 38–41°. There are a spread of In–O bond distances ranging from 2.17–2.29 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.26–2.76 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent In3+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent In3+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent In3+ and two equivalent Bi3+ atoms.
DOI: 10.17188/1269601
title: Materials Data on Ba4AgAuO6 by Materials Project

description: Ba4AuAgO6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.61–3.15 Å. In the second Ba2+ site, Ba2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.67–2.97 Å. Au3+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.07 Å) Au–O bond lengths. Ag1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.15 Å) and two longer (2.53 Å) Ag–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five Ba2+ and one Ag1+ atom to form distorted OBa5Ag octahedra that share corners with eleven OBa5Ag octahedra, edges with eight OBa5Ag octahedra, and faces with two equivalent OBa4AgAu octahedra. The corner-sharing octahedra tilt angles range from 1–66°. In the second O2- site, O2- is bonded to five Ba2+ and one Au3+ atom to form OBa5Au octahedra that share corners with eleven OBa5Au octahedra, edges with eight OBa5Ag octahedra, and faces with two equivalent OBa4AgAu octahedra. The corner-sharing octahedra tilt angles range from 0–58°. In the third O2- site, O2- is bonded to four Ba2+, one Au3+, and one Ag1+ atom to form OBa4AgAu octahedra that share corners with thirteen OBa5Ag octahedra, an edgeedge with one OBa4AgAu octahedra, and faces with five OBa5Ag octahedra. The corner-sharing octahedra tilt angles range from 0–66°.
DOI: 10.17188/1269602
title: Materials Data on KLi4NbO5 by Materials Project

description: KLi4NbO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.83–2.99 Å. There are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to five O2- atoms to form distorted LiO5 square pyramids that share a cornercorner with one LiO4 tetrahedra, corners with four equivalent LiO4 trigonal pyramids, an edgeedge with one LiO5 square pyramid, edges with three LiO4 tetrahedra, and an edgeedge with one LiO4 trigonal pyramid. There are a spread of Li–O bond distances ranging from 1.97–2.23 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share a cornercorner with one LiO5 square pyramid, a cornercorner with one LiO4 tetrahedra, corners with two equivalent LiO4 trigonal pyramids, edges with two equivalent LiO5 square pyramids, an edgeedge with one LiO4 tetrahedra, and an edgeedge with one LiO4 trigonal pyramid. There are a spread of Li–O bond distances ranging from 1.97–2.04 Å. In the third Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share a cornercorner with one LiO4 tetrahedra, a cornercorner with one LiO4 trigonal pyramid, an edgeedge with one LiO5 square pyramid, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.91–2.04 Å. In the fourth Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent LiO5 square pyramids, corners with three LiO4 tetrahedra, an edgeedge with one LiO5 square pyramid, an edgeedge with one LiO4 tetrahedra, and an edgeedge with one LiO4 trigonal pyramid. There are a spread of Li–O bond distances ranging from 1.96–2.00 Å. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.89–2.54 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Li1+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, three Li1+, and one Nb5+ atom. In the third O2- site, O2- is bonded to five Li1+ and one Nb5+ atom to form distorted edge-sharing OLi5Nb octahedra. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent Li1+, and one Nb5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, three Li1+, and one Nb5+ atom.
DOI: 10.17188/1269603
title: Materials Data on HgSb4C2(OF11)2 by Materials Project

description: HgC2Sb4(OF11)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one HgC2Sb4(OF11)2 sheet oriented in the (1, 0, 0) direction. Hg2+ is bonded in a 6-coordinate geometry to two equivalent C4+ and four F1- atoms. Both Hg–C bond lengths are 2.11 Å. There are two shorter (2.65 Å) and two longer (2.74 Å) Hg–F bond lengths. C4+ is bonded in a distorted single-bond geometry to one Hg2+ and one O2- atom. The C–O bond length is 1.13 Å. There are two inequivalent Sb4+ sites. In the first Sb4+ site, Sb4+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.89–2.07 Å. In the second Sb4+ site, Sb4+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.88–2.09 Å. O2- is bonded in a single-bond geometry to one C4+ atom. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Hg2+ and one Sb4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb4+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb4+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Hg2+ and one Sb4+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb4+ atoms. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb4+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb4+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Sb4+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Sb4+ atom.
DOI: 10.17188/1269604
title: Materials Data on KSbN(OF)3 by Materials Project

description: KSbN(OF)3 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two KSbN(OF)3 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 8-coordinate geometry to two O2- and six F1- atoms. There are one shorter (3.00 Å) and one longer (3.03 Å) K–O bond lengths. There are a spread of K–F bond distances ranging from 2.74–3.04 Å. Sb3+ is bonded in a 4-coordinate geometry to three F1- atoms. There is two shorter (1.98 Å) and one longer (2.01 Å) Sb–F bond length. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one K1+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one K1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one N5+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Sb3+ atom.
DOI: 10.17188/1269605
title: Materials Data on GdMg(BO2)5 by Materials Project

description: GdMgB5O10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.08–2.35 Å. Gd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Gd–O bond distances ranging from 2.32–2.68 Å. There are five 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 1.36–1.40 Å. In the second 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 1.47–1.50 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.38 Å) B–O bond length. In the fourth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There is one shorter (1.47 Å) and three longer (1.49 Å) B–O bond length. In the fifth 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 1.46–1.52 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Gd3+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Gd3+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Gd3+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Mg2+ and two B3+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Gd3+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+, one Gd3+, and two B3+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Mg2+, one Gd3+, and one B3+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Gd3+ and two B3+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+ and two B3+ atoms. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two B3+ atoms.
DOI: 10.17188/1269606
title: Materials Data on Na3LiBe2F8 by Materials Project

description: Na3LiBe2F8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to seven F1- atoms to form distorted NaF7 pentagonal bipyramids that share corners with three BeF4 tetrahedra, corners with two equivalent LiF5 trigonal bipyramids, edges with two BeF4 tetrahedra, and an edgeedge with one LiF5 trigonal bipyramid. There are a spread of Na–F bond distances ranging from 2.33–2.62 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Na–F bond distances ranging from 2.34–2.42 Å. In the third Na1+ site, Na1+ is bonded in a 5-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.31–2.86 Å. Li1+ is bonded to five F1- atoms to form distorted LiF5 trigonal bipyramids that share corners with two equivalent NaF7 pentagonal bipyramids, corners with three equivalent BeF4 tetrahedra, an edgeedge with one NaF7 pentagonal bipyramid, and an edgeedge with one BeF4 tetrahedra. There are a spread of Li–F bond distances ranging from 1.91–2.41 Å. There are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four F1- atoms to form BeF4 tetrahedra that share corners with two equivalent NaF7 pentagonal bipyramids, an edgeedge with one NaF7 pentagonal bipyramid, and an edgeedge with one LiF5 trigonal bipyramid. There is two shorter (1.55 Å) and two longer (1.58 Å) Be–F bond length. In the second Be2+ site, Be2+ is bonded to four F1- atoms to form BeF4 tetrahedra that share a cornercorner with one NaF7 pentagonal bipyramid, corners with three equivalent LiF5 trigonal bipyramids, and an edgeedge with one NaF7 pentagonal bipyramid. There are a spread of Be–F bond distances ranging from 1.56–1.58 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three Na1+, one Li1+, and one Be2+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three Na1+ and one Be2+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+, one Li1+, and one Be2+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two Na1+, one Li1+, and one Be2+ atom. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to three Na1+ and one Be2+ atom. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to two Na1+, one Li1+, and one Be2+ atom. In the seventh F1- site, F1- is bonded in a 5-coordinate geometry to three Na1+, one Li1+, and one Be2+ atom. In the eighth F1- site, F1- is bonded in a distorted trigonal pyramidal geometry to three Na1+ and one Be2+ atom.
DOI: 10.17188/1269607
title: Materials Data on Nd5As4(ClO4)3 by Materials Project

description: Nd5As4(O4Cl)3 is Zircon-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.30–2.63 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to four O2- and four Cl1- atoms. There are a spread of Nd–O bond distances ranging from 2.31–2.60 Å. There are a spread of Nd–Cl bond distances ranging from 3.09–3.15 Å. In the third Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.54 Å. There are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.78–1.85 Å. In the second As3+ site, As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.79–1.88 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Nd3+ and one As3+ atom. In the second O2- site, O2- is bonded to three Nd3+ and one As3+ atom to form distorted edge-sharing ONd3As tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Nd3+ and one As3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Nd3+ and one As3+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Nd3+ and one As3+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Nd3+ and one As3+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Nd3+ atoms. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Nd3+ atoms.
DOI: 10.17188/1269608
title: Materials Data on Sm3SiS6Cl by Materials Project

description: Sm3SiS6Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.85–3.24 Å. In the second Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to seven S2- and one Cl1- atom. There are a spread of Sm–S bond distances ranging from 2.74–3.33 Å. The Sm–Cl bond length is 2.82 Å. In the third Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to six S2- and two equivalent Cl1- atoms. There are a spread of Sm–S bond distances ranging from 2.73–3.07 Å. There are one shorter (2.89 Å) and one longer (2.91 Å) Sm–Cl bond lengths. In the fourth Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Sm–S bond distances ranging from 2.76–2.97 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.16 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. All Si–S bond lengths are 2.12 Å. There are nine inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Sm3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Sm3+ and one Si4+ atom. In the third S2- site, S2- is bonded to four Sm3+ atoms to form a mixture of distorted corner and edge-sharing SSm4 trigonal pyramids. In the fourth S2- site, S2- is bonded to three Sm3+ and one Si4+ atom to form a mixture of distorted corner and edge-sharing SSm3Si trigonal pyramids. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to three Sm3+ and one Si4+ atom. In the sixth S2- site, S2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom. In the seventh S2- site, S2- is bonded in a 4-coordinate geometry to three Sm3+ and one Si4+ atom. In the eighth S2- site, S2- is bonded in a 3-coordinate geometry to five Sm3+ atoms. In the ninth S2- site, S2- is bonded to four Sm3+ atoms to form a mixture of distorted corner and edge-sharing SSm4 tetrahedra. Cl1- is bonded in a 3-coordinate geometry to three Sm3+ atoms.
DOI: 10.17188/1269609
title: Materials Data on FeF2 by Materials Project

description: FeF2 is Hydrophilite structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent F1- atoms to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two shorter (2.04 Å) and four longer (2.15 Å) Fe–F bond lengths. F1- is bonded in a distorted trigonal planar geometry to three equivalent Fe2+ atoms.
DOI: 10.17188/1269610
title: Materials Data on GaAgS2 by Materials Project

description: AgGaS2 is Chalcopyrite structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra and corners with eight equivalent GaS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.52–2.62 Å. Ga3+ is bonded to four S2- atoms to form GaS4 tetrahedra that share corners with four equivalent GaS4 tetrahedra and corners with eight equivalent AgS4 tetrahedra. There are one shorter (2.31 Å) and three longer (2.32 Å) Ga–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form corner-sharing SGa2Ag2 tetrahedra. In the second S2- site, S2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form corner-sharing SGa2Ag2 tetrahedra.
DOI: 10.17188/1269611
title: Materials Data on NbPO5 by Materials Project

description: NbOPO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Nb–O bond distances ranging from 1.90–2.08 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 7–23°. There is two shorter (1.53 Å) and two longer (1.55 Å) P–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+ and one P5+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Nb5+ and one P5+ atom. In the third O2- site, O2- is bonded in a linear geometry to one Nb5+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+ and one P5+ atom.
DOI: 10.17188/1269612
title: Materials Data on Tb9(SbO)5 by Materials Project

description: Tb9(SbO)5 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a distorted single-bond geometry to five Sb and one O atom. There are a spread of Tb–Sb bond distances ranging from 3.11–3.19 Å. The Tb–O bond length is 2.29 Å. In the second Tb site, Tb is bonded in a distorted single-bond geometry to five Sb and one O atom. There are one shorter (3.16 Å) and four longer (3.18 Å) Tb–Sb bond lengths. The Tb–O bond length is 2.36 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to two equivalent Sb and four O atoms. There are one shorter (3.32 Å) and one longer (3.40 Å) Tb–Sb bond lengths. There are a spread of Tb–O bond distances ranging from 2.21–2.46 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 5-coordinate geometry to seven Tb atoms. In the second Sb site, Sb is bonded to five Tb atoms to form SbTb5 square pyramids that share corners with four equivalent OTb4 tetrahedra and a cornercorner with one OTb5 trigonal bipyramid. There are two inequivalent O sites. In the first O site, O is bonded to four Tb atoms to form OTb4 tetrahedra that share a cornercorner with one SbTb5 square pyramid, corners with four equivalent OTb4 tetrahedra, a cornercorner with one OTb5 trigonal bipyramid, an edgeedge with one OTb4 tetrahedra, and an edgeedge with one OTb5 trigonal bipyramid. In the second O site, O is bonded to five Tb atoms to form distorted OTb5 trigonal bipyramids that share a cornercorner with one SbTb5 square pyramid, corners with four equivalent OTb4 tetrahedra, and edges with four equivalent OTb4 tetrahedra.