cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1271604
title: Materials Data on K4Nb2Se11O by Materials Project

description: K4Nb2Se11O crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine Se+0.91- atoms. There are a spread of K–Se bond distances ranging from 3.37–3.86 Å. In the second K1+ site, K1+ is bonded in a 1-coordinate geometry to five Se+0.91- and one O2- atom. There are a spread of K–Se bond distances ranging from 3.29–3.72 Å. The K–O bond length is 2.73 Å. In the third K1+ site, K1+ is bonded in a 1-coordinate geometry to six Se+0.91- and one O2- atom. There are a spread of K–Se bond distances ranging from 3.28–3.81 Å. The K–O bond length is 2.64 Å. In the fourth K1+ site, K1+ is bonded in a 10-coordinate geometry to ten Se+0.91- atoms. There are a spread of K–Se bond distances ranging from 3.50–3.87 Å. There are two inequivalent Nb4+ sites. In the first Nb4+ site, Nb4+ is bonded in a distorted single-bond geometry to five Se+0.91- and one O2- atom. There are a spread of Nb–Se bond distances ranging from 2.60–2.69 Å. The Nb–O bond length is 1.78 Å. In the second Nb4+ site, Nb4+ is bonded in a 7-coordinate geometry to seven Se+0.91- atoms. There are a spread of Nb–Se bond distances ranging from 2.40–2.97 Å. There are eleven inequivalent Se+0.91- sites. In the first Se+0.91- site, Se+0.91- is bonded in a distorted L-shaped geometry to two K1+, two Nb4+, and one Se+0.91- atom. The Se–Se bond length is 2.71 Å. In the second Se+0.91- site, Se+0.91- is bonded in a 1-coordinate geometry to two K1+, two Nb4+, and two Se+0.91- atoms. There are one shorter (2.43 Å) and one longer (3.03 Å) Se–Se bond lengths. In the third Se+0.91- site, Se+0.91- is bonded in a 5-coordinate geometry to three K1+ and two Se+0.91- atoms. There are one shorter (2.40 Å) and one longer (2.47 Å) Se–Se bond lengths. In the fourth Se+0.91- site, Se+0.91- is bonded in a 1-coordinate geometry to three K1+ and one Nb4+ atom. In the fifth Se+0.91- site, Se+0.91- is bonded in a 1-coordinate geometry to four K1+, one Nb4+, and one Se+0.91- atom. The Se–Se bond length is 2.43 Å. In the sixth Se+0.91- site, Se+0.91- is bonded in a 3-coordinate geometry to two K1+, one Nb4+, and one Se+0.91- atom. In the seventh Se+0.91- site, Se+0.91- is bonded in a 5-coordinate geometry to three K1+, one Nb4+, and two Se+0.91- atoms. The Se–Se bond length is 3.05 Å. In the eighth Se+0.91- site, Se+0.91- is bonded in a 1-coordinate geometry to three K1+, one Nb4+, and three Se+0.91- atoms. In the ninth Se+0.91- site, Se+0.91- is bonded in a 1-coordinate geometry to two K1+, one Nb4+, and one Se+0.91- atom. In the tenth Se+0.91- site, Se+0.91- is bonded in a 1-coordinate geometry to two equivalent K1+, one Nb4+, and one Se+0.91- atom. In the eleventh Se+0.91- site, Se+0.91- is bonded in a 1-coordinate geometry to four K1+ and one Nb4+ atom. O2- is bonded in a 1-coordinate geometry to two K1+ and one Nb4+ atom.
DOI: 10.17188/1271607
title: Materials Data on MgSeO4 by Materials Project

description: MgSeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent SeO4 tetrahedra and edges with two equivalent MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.01–2.30 Å. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Se–O bond distances ranging from 1.65–1.70 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one Se6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mg2+ and one Se6+ atom.
DOI: 10.17188/1271608
title: Materials Data on Rb2NaVF6 by Materials Project

description: Rb2NaVF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent VF6 octahedra. All Rb–F bond lengths are 3.06 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent VF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.33 Å. V3+ is bonded to six equivalent F1- atoms to form VF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–F bond lengths are 1.99 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Na1+, and one V3+ atom.
DOI: 10.17188/1271609
title: Materials Data on NaPr2S2O8F3 by Materials Project

description: NaPr2S2O8F3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to four O2- and three F1- atoms. There are two shorter (2.48 Å) and two longer (2.62 Å) Na–O bond lengths. There are one shorter (2.34 Å) and two longer (2.59 Å) Na–F bond lengths. Pr3+ is bonded in a 10-coordinate geometry to six O2- and four F1- atoms. There are a spread of Pr–O bond distances ranging from 2.52–2.72 Å. There are a spread of Pr–F bond distances ranging from 2.37–2.57 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pr3+ and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Pr3+, and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pr3+, one S6+, and one F1- atom. The O–F bond length is 2.56 Å. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Pr3+, and one S6+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to one Na1+, three equivalent Pr3+, and one O2- atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Na1+ and two equivalent Pr3+ atoms.
DOI: 10.17188/1271610
title: Materials Data on K6Cu(SiO4)2 by Materials Project

description: K6Cu(SiO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three 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 2.66–3.24 Å. In the second 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 2.68–2.95 Å. In the third 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 2.75–3.13 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.98 Å) and two longer (1.99 Å) Cu–O bond length. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.69 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to six K1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four K1+, one Cu2+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three K1+, one Cu2+, and one Si4+ atom.
DOI: 10.17188/1271611
title: Materials Data on CrAgS2 by Materials Project

description: AgCrS2 crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three AgCrS2 sheets oriented in the (0, 0, 1) direction. Cr3+ is bonded to six S2- atoms to form distorted edge-sharing CrS6 pentagonal pyramids. There are three shorter (2.27 Å) and three longer (2.28 Å) Cr–S bond lengths. Ag1+ is bonded in a distorted single-bond geometry to one S2- atom. The Ag–S bond length is 3.09 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Cr3+ and one Ag1+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Cr3+ atoms.
DOI: 10.17188/1271612
title: Materials Data on NdP5O14 by Materials Project

description: NdP5O14 crystallizes in the orthorhombic Pmna space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.42–2.53 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.48–1.58 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.49 Å) and two longer (1.64 Å) P–O bond length. In the third P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.49 Å) and two longer (1.64 Å) P–O bond length. In the fourth P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.49 Å) and two longer (1.63 Å) P–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one P5+ atom.
DOI: 10.17188/1271613
title: Materials Data on K2Ge(IO3)6 by Materials Project

description: K2Ge(O3I)6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.83–3.10 Å. Ge4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ge–O bond lengths are 1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Ge4+, and one I5+ atom. The O–I bond length is 1.92 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+ and one I5+ atom. The O–I bond length is 1.83 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one I5+ atom. The O–I bond length is 1.83 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.
DOI: 10.17188/1271616
title: Materials Data on SrV2(NiO4)2 (SG:110) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1271617
title: Materials Data on BaHgRuO5 by Materials Project

description: BaHgRuO5 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.78–2.96 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form distorted BaO12 cuboctahedra that share edges with six equivalent RuO5 trigonal bipyramids and faces with two equivalent BaO12 cuboctahedra. There are six shorter (2.86 Å) and six longer (3.29 Å) Ba–O bond lengths. Ru6+ is bonded to five O2- atoms to form RuO5 trigonal bipyramids that share edges with two equivalent BaO12 cuboctahedra. There are a spread of Ru–O bond distances ranging from 1.79–2.05 Å. Hg2+ is bonded in a distorted linear geometry to two O2- atoms. Both Hg–O bond lengths are 2.06 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+, one Ru6+, and one Hg2+ atom to form a mixture of distorted edge and corner-sharing OBa2HgRu tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Ba2+ and one Ru6+ atom. In the third O2- site, O2- is bonded to two equivalent Ba2+, one Ru6+, and one Hg2+ atom to form a mixture of distorted edge and corner-sharing OBa2HgRu tetrahedra. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one Ru6+ atom.
DOI: 10.17188/1271618
title: Materials Data on Te3As2S(OF6)2 by Materials Project

description: (Te)3AsTeF6AsTe2F6(AsF6)2(SO2)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four sulfur dioxide molecules, six tellurium molecules, four AsF6 clusters, two AsTe2F6 clusters, and two AsTeF6 clusters. In each AsF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.77–1.79 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In each AsTe2F6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.75–1.80 Å. There are two inequivalent Te+2.67+ sites. In the first Te+2.67+ site, Te+2.67+ is bonded in a single-bond geometry to one F1- atom. The Te–F bond length is 2.84 Å. In the second Te+2.67+ site, Te+2.67+ is bonded in a single-bond geometry to one F1- atom. The Te–F bond length is 2.82 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ and one Te+2.67+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ and one Te+2.67+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In each AsTeF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.80 Å. Te+2.67+ is bonded in a distorted single-bond geometry to one F1- atom. The Te–F bond length is 2.86 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As5+ and one Te+2.67+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.
DOI: 10.17188/1271619
title: Materials Data on Cr2Te4O11 (SG:14) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1271620
title: Materials Data on SiO2 by Materials Project

description: SiO2 is Low Tridymite-like structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are seven inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.63 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.63 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is three shorter (1.62 Å) and one longer (1.63 Å) Si–O bond length. In the fourth Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is three shorter (1.62 Å) and one longer (1.63 Å) Si–O bond length. In the fifth Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is three shorter (1.62 Å) and one longer (1.63 Å) Si–O bond length. In the sixth Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.63 Å) Si–O bond length. In the seventh Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is one shorter (1.62 Å) and three longer (1.63 Å) Si–O bond length. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the seventh O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the thirteenth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the fourteenth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the fifteenth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the sixteenth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the seventeenth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the eighteenth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.
DOI: 10.17188/1271621
title: Materials Data on Cs2TlMoF6 by Materials Project

description: Cs2MoTlF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent MoF6 octahedra, and faces with four equivalent TlF6 octahedra. All Cs–F bond lengths are 3.41 Å. Mo3+ is bonded to six equivalent F1- atoms to form MoF6 octahedra that share corners with six equivalent TlF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–F bond lengths are 2.11 Å. Tl1+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent MoF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.70 Å. F1- is bonded in a 2-coordinate geometry to four equivalent Cs1+, one Mo3+, and one Tl1+ atom.
DOI: 10.17188/1271622
title: Materials Data on Sm10S14O by Materials Project

description: Sm10S14O crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are three 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 2.83–3.02 Å. In the second 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 2.78–2.94 Å. In the third Sm3+ site, Sm3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Sm–S bond distances ranging from 2.76–3.05 Å. The Sm–O bond length is 2.38 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four Sm3+ atoms. In the second S2- site, S2- is bonded to five Sm3+ atoms to form distorted SSm5 trigonal bipyramids that share corners with three equivalent SSm6 octahedra, corners with two equivalent OSm4 tetrahedra, a cornercorner with one SSm5 trigonal bipyramid, edges with two equivalent SSm5 trigonal bipyramids, and a faceface with one SSm6 octahedra. The corner-sharing octahedra tilt angles range from 39–57°. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five Sm3+ atoms. In the fourth S2- site, S2- is bonded to six Sm3+ atoms to form SSm6 octahedra that share corners with two equivalent SSm6 octahedra, corners with two equivalent OSm4 tetrahedra, corners with six equivalent SSm5 trigonal bipyramids, and faces with two equivalent SSm5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 53°. O2- is bonded to four equivalent Sm3+ atoms to form OSm4 tetrahedra that share corners with four equivalent SSm6 octahedra and corners with eight equivalent SSm5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 43°.