cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1193070
title: Materials Data on KAlTe2 by Materials Project

description: KAlTe2 crystallizes in the monoclinic C2/c 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 Te2- atoms. There are a spread of K–Te bond distances ranging from 3.57–3.72 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.67–3.72 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Te2- atoms to form corner-sharing AlTe4 tetrahedra. There are a spread of Al–Te bond distances ranging from 2.63–2.66 Å. In the second Al3+ site, Al3+ is bonded to four Te2- atoms to form corner-sharing AlTe4 tetrahedra. There are a spread of Al–Te bond distances ranging from 2.63–2.66 Å. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to two K1+ and two Al3+ atoms. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to four K1+ and two Al3+ atoms. In the third Te2- site, Te2- is bonded in a 4-coordinate geometry to two K1+ and two Al3+ atoms. In the fourth Te2- site, Te2- is bonded in a 2-coordinate geometry to four K1+ and two equivalent Al3+ atoms. In the fifth Te2- site, Te2- is bonded in a 2-coordinate geometry to four K1+ and two equivalent Al3+ atoms.
DOI: 10.17188/1193071
title: Materials Data on KGaP2O7 by Materials Project

description: KGaP2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.78–3.29 Å. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.95–2.01 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent GaO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–49°. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent GaO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–54°. There are a spread of P–O bond distances ranging from 1.52–1.63 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+, one Ga3+, and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Ga3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Ga3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one K1+ and two P5+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Ga3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Ga3+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to one K1+, one Ga3+, and one P5+ atom.
DOI: 10.17188/1193072
title: Materials Data on V3P by Materials Project

description: V3P crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded in a 4-coordinate geometry to four equivalent P atoms. There are a spread of V–P bond distances ranging from 2.37–2.45 Å. In the second V site, V is bonded in a 2-coordinate geometry to three equivalent P atoms. There are a spread of V–P bond distances ranging from 2.37–2.68 Å. In the third V site, V is bonded in a 2-coordinate geometry to two equivalent P atoms. There are one shorter (2.38 Å) and one longer (2.41 Å) V–P bond lengths. P is bonded in a 9-coordinate geometry to nine V atoms.
DOI: 10.17188/1193073
title: Materials Data on Sr3(GeP2)2 by Materials Project

description: Sr3(GeP2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 4–12°. There are a spread of Sr–P bond distances ranging from 3.06–3.28 Å. In the second Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 3–12°. There are a spread of Sr–P bond distances ranging from 3.06–3.20 Å. In the third Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 3–9°. There are a spread of Sr–P bond distances ranging from 3.07–3.30 Å. There are two inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are a spread of Ge–P bond distances ranging from 2.33–2.43 Å. In the second Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are one shorter (2.38 Å) and two longer (2.41 Å) Ge–P bond lengths. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded to four Sr2+ and two equivalent Ge3+ atoms to form PSr4Ge2 octahedra that share corners with eight PSr5Ge octahedra and edges with eight PSr4Ge2 octahedra. The corner-sharing octahedra tilt angles range from 3–95°. In the second P3- site, P3- is bonded to five Sr2+ and one Ge3+ atom to form a mixture of edge and corner-sharing PSr5Ge octahedra. The corner-sharing octahedra tilt angles range from 3–95°. In the third P3- site, P3- is bonded to five Sr2+ and one Ge3+ atom to form a mixture of edge and corner-sharing PSr5Ge octahedra. The corner-sharing octahedra tilt angles range from 3–87°. In the fourth P3- site, P3- is bonded to four Sr2+ and two Ge3+ atoms to form a mixture of edge and corner-sharing PSr4Ge2 octahedra. The corner-sharing octahedra tilt angles range from 6–95°.
DOI: 10.17188/1193074
title: Materials Data on HfTe3O8 by Materials Project

description: HfTe3O8 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Hf4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Hf–O bond lengths are 2.08 Å. Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.90 Å) and two longer (2.18 Å) Te–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Hf4+ and one Te4+ atom.
DOI: 10.17188/1193075
title: Materials Data on TlSe by Materials Project

description: TlSe is I4/mcm structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 10-coordinate geometry to eight equivalent Se1- atoms. All Tl–Se bond lengths are 3.53 Å. In the second Tl1+ site, Tl1+ is bonded to four equivalent Se1- atoms to form edge-sharing TlSe4 tetrahedra. All Tl–Se bond lengths are 2.73 Å. Se1- is bonded in a 2-coordinate geometry to six Tl1+ atoms.
DOI: 10.17188/1193076
title: Materials Data on Ca5P12Ir19 by Materials Project

description: Ca5Ir19P12 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 8-coordinate geometry to ten Ir and six P atoms. There are a spread of Ca–Ir bond distances ranging from 3.06–3.41 Å. There are two shorter (2.99 Å) and four longer (3.05 Å) Ca–P bond lengths. In the second Ca site, Ca is bonded in a 6-coordinate geometry to nine Ir and six equivalent P atoms. There are six shorter (3.14 Å) and three longer (3.17 Å) Ca–Ir bond lengths. All Ca–P bond lengths are 2.96 Å. There are five inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent P atoms. All Ir–P bond lengths are 2.29 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to three Ca, five Ir, and four P atoms. There are a spread of Ir–Ir bond distances ranging from 2.82–2.96 Å. There are a spread of Ir–P bond distances ranging from 2.39–2.44 Å. In the third Ir site, Ir is bonded in a 12-coordinate geometry to three Ca, five Ir, and four P atoms. There are two shorter (2.84 Å) and one longer (2.87 Å) Ir–Ir bond lengths. There are a spread of Ir–P bond distances ranging from 2.28–2.61 Å. In the fourth Ir site, Ir is bonded in a 12-coordinate geometry to two equivalent Ca, six Ir, and four P atoms. Both Ir–Ir bond lengths are 2.98 Å. There are two shorter (2.36 Å) and two longer (2.42 Å) Ir–P bond lengths. In the fifth Ir site, Ir is bonded in a distorted single-bond geometry to eight Ir and five P atoms. There are one shorter (2.29 Å) and four longer (2.88 Å) Ir–P bond lengths. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Ca and seven Ir atoms. In the second P site, P is bonded in a 9-coordinate geometry to four equivalent Ca and five Ir atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Ca and seven Ir atoms.
DOI: 10.17188/1193077
title: Materials Data on K7NbAs4 by Materials Project

description: K7NbAs4 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four As3- atoms to form distorted KAs4 tetrahedra that share corners with two equivalent NbAs4 tetrahedra, corners with four equivalent KAs4 tetrahedra, and an edgeedge with one NbAs4 tetrahedra. There are a spread of K–As bond distances ranging from 3.25–3.47 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five As3- atoms. There are a spread of K–As bond distances ranging from 3.44–3.79 Å. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to one K1+ and four As3- atoms. The K–K bond length is 3.36 Å. There are a spread of K–As bond distances ranging from 3.20–3.56 Å. In the fourth K1+ site, K1+ is bonded in a 5-coordinate geometry to one K1+ and four As3- atoms. There are a spread of K–As bond distances ranging from 3.49–3.87 Å. In the fifth K1+ site, K1+ is bonded in a distorted trigonal non-coplanar geometry to three As3- atoms. There are one shorter (3.26 Å) and two longer (3.36 Å) K–As bond lengths. Nb5+ is bonded to four As3- atoms to form NbAs4 tetrahedra that share corners with four equivalent KAs4 tetrahedra and edges with two equivalent KAs4 tetrahedra. There are a spread of Nb–As bond distances ranging from 2.51–2.56 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 5-coordinate geometry to seven K1+ and one Nb5+ atom. In the second As3- site, As3- is bonded in a 1-coordinate geometry to seven K1+ and one Nb5+ atom. In the third As3- site, As3- is bonded in a 1-coordinate geometry to eight K1+ and one Nb5+ atom.
DOI: 10.17188/1193078
title: Materials Data on RbCuSe4 by Materials Project

description: RbCuSe4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 11-coordinate geometry to eleven Se+0.50- atoms. There are a spread of Rb–Se bond distances ranging from 3.54–4.08 Å. Cu1+ is bonded to four Se+0.50- atoms to form distorted corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.42–2.48 Å. There are four inequivalent Se+0.50- sites. In the first Se+0.50- site, Se+0.50- is bonded in a distorted single-bond geometry to three equivalent Rb1+, one Cu1+, and one Se+0.50- atom. The Se–Se bond length is 2.40 Å. In the second Se+0.50- site, Se+0.50- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and two equivalent Cu1+ atoms. In the third Se+0.50- site, Se+0.50- is bonded in a 1-coordinate geometry to three equivalent Rb1+, one Cu1+, and one Se+0.50- atom. The Se–Se bond length is 2.44 Å. In the fourth Se+0.50- site, Se+0.50- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two Se+0.50- atoms.
DOI: 10.17188/1193079
title: Materials Data on Yb(Al4Co)2 by Materials Project

description: Yb(CoAl4)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to thirteen Al atoms. There are a spread of Yb–Al bond distances ranging from 3.10–3.34 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.33–2.56 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.34–2.57 Å. There are nine inequivalent Al sites. In the first Al site, Al is bonded in a 1-coordinate geometry to three Co and two equivalent Al atoms. Both Al–Al bond lengths are 3.00 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Yb, two equivalent Co, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–3.00 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Co, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–2.88 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Co, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.64–2.81 Å. In the fifth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Co, and three Al atoms. The Al–Al bond length is 2.68 Å. In the sixth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Co, and six Al atoms. There are one shorter (2.66 Å) and two longer (2.84 Å) Al–Al bond lengths. In the seventh Al site, Al is bonded in a distorted linear geometry to two equivalent Yb, two equivalent Co, and eight Al atoms. In the eighth Al site, Al is bonded in a 12-coordinate geometry to four equivalent Co and four Al atoms. In the ninth Al site, Al is bonded in a distorted linear geometry to two equivalent Yb, two Co, and six Al atoms.
DOI: 10.17188/1193080
title: Materials Data on TbCu by Materials Project

description: TbCu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Tb–Cu bond lengths are 3.01 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Tb atoms.
DOI: 10.17188/1193081
title: Materials Data on ZnSe2O5 by Materials Project

description: ZnSe2O5 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Zn2+ is bonded to six O2- atoms to form edge-sharing ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 2.13–2.16 Å. Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.70–1.87 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Se4+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zn2+ and one Se4+ atom.
DOI: 10.17188/1193082
title: Materials Data on KHgC3(NO)3 by Materials Project

description: KHgC3(NO)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to three N3- and five O2- atoms. There are one shorter (2.97 Å) and two longer (3.03 Å) K–N bond lengths. There are a spread of K–O bond distances ranging from 2.85–2.94 Å. Hg2+ is bonded in a distorted see-saw-like geometry to four N3- atoms. There are a spread of Hg–N bond distances ranging from 2.12–2.55 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to one N3- and one O2- atom. The C–N bond length is 1.21 Å. The C–O bond length is 1.21 Å. In the second C4+ site, C4+ is bonded in a linear geometry to one N3- and one O2- atom. The C–N bond length is 1.21 Å. The C–O bond length is 1.20 Å. In the third C4+ site, C4+ is bonded in a linear geometry to one N3- and one O2- atom. The C–N bond length is 1.21 Å. The C–O bond length is 1.20 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent K1+, one Hg2+, and one C4+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one K1+, two equivalent Hg2+, and one C4+ atom. In the third N3- site, N3- is bonded in a bent 120 degrees geometry to one Hg2+ and one C4+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C4+ atom.
DOI: 10.17188/1193085
title: Materials Data on ZnS by Materials Project

description: ZnS is Moissanite 9R-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are six inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the second Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the third Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the fourth Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the fifth Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the sixth Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the second S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. All S–Zn bond lengths are 2.36 Å. In the third S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. All S–Zn bond lengths are 2.36 Å. In the fourth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the fifth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the sixth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the seventh S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra.
DOI: 10.17188/1193086
title: Materials Data on K3AlTe3 by Materials Project

description: K3AlTe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Te2- atoms. There are a spread of K–Te bond distances ranging from 3.62–4.24 Å. In the second K1+ site, K1+ is bonded to five Te2- atoms to form distorted KTe5 trigonal bipyramids that share corners with four equivalent AlTe4 tetrahedra, corners with two equivalent KTe5 trigonal bipyramids, an edgeedge with one AlTe4 tetrahedra, and an edgeedge with one KTe5 trigonal bipyramid. There are a spread of K–Te bond distances ranging from 3.50–3.66 Å. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.50–4.01 Å. Al3+ is bonded to four Te2- atoms to form AlTe4 tetrahedra that share corners with four equivalent KTe5 trigonal bipyramids, an edgeedge with one AlTe4 tetrahedra, and an edgeedge with one KTe5 trigonal bipyramid. There are a spread of Al–Te bond distances ranging from 2.61–2.71 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to five K1+ and two equivalent Al3+ atoms. In the second Te2- site, Te2- is bonded in a 7-coordinate geometry to six K1+ and one Al3+ atom. In the third Te2- site, Te2- is bonded in a 1-coordinate geometry to seven K1+ and one Al3+ atom.
DOI: 10.17188/1193087
title: Materials Data on K3NbS4 by Materials Project

description: K3NbS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.25–3.69 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.17–3.76 Å. Nb5+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.29 Å) and two longer (2.30 Å) Nb–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one Nb5+ atom. In the second S2- site, S2- is bonded to five K1+ and one Nb5+ atom to form edge-sharing SK5Nb octahedra. In the third S2- site, S2- is bonded in a 1-coordinate geometry to six K1+ and one Nb5+ atom.
DOI: 10.17188/1193088
title: Materials Data on Lu2Si2O7 by Materials Project

description: Lu2Si2O7 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Lu3+ is bonded to seven O2- atoms to form distorted LuO7 pentagonal bipyramids that share corners with five equivalent SiO4 tetrahedra, edges with five equivalent LuO7 pentagonal bipyramids, and an edgeedge with one SiO4 tetrahedra. There are a spread of Lu–O bond distances ranging from 2.16–2.50 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with five equivalent LuO7 pentagonal bipyramids, a cornercorner with one SiO4 tetrahedra, and an edgeedge with one LuO7 pentagonal bipyramid. There are a spread of Si–O bond distances ranging from 1.63–1.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Lu3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Lu3+ and one Si4+ atom.