cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1205299
title: Materials Data on K4Ge9O20 by Materials Project

description: K4Ge9O20 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.11 Å. There are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four equivalent O2- atoms to form corner-sharing GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. All Ge–O bond lengths are 1.77 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 61–62°. There are a spread of Ge–O bond distances ranging from 1.76–1.80 Å. In the third Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with three GeO4 tetrahedra and edges with three equivalent GeO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.86–2.02 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two Ge4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Ge4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Ge4+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Ge4+ atoms.
DOI: 10.17188/1205300
title: Materials Data on Er2Zn17 by Materials Project

description: Er2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.10–3.45 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Er and nine Zn atoms to form distorted ZnEr3Zn9 cuboctahedra that share corners with twenty-three ZnEr2Zn10 cuboctahedra, edges with ten ZnEr2Zn10 cuboctahedra, and faces with twenty ZnEr3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.53–2.86 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Er and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.65–2.98 Å. In the third Zn site, Zn is bonded to two equivalent Er and ten Zn atoms to form ZnEr2Zn10 cuboctahedra that share corners with twenty-two ZnEr2Zn10 cuboctahedra, edges with ten ZnEr2Zn10 cuboctahedra, and faces with eighteen ZnEr3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.59 Å. In the fourth Zn site, Zn is bonded to two equivalent Er and ten Zn atoms to form distorted ZnEr2Zn10 cuboctahedra that share corners with twenty-four ZnEr2Zn10 cuboctahedra, edges with five ZnEr2Zn10 cuboctahedra, and faces with twenty-one ZnEr3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.67 Å.
DOI: 10.17188/1205301
title: Materials Data on Dy2Zn17 by Materials Project

description: Dy2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Dy–Zn bond distances ranging from 3.11–3.46 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Dy and nine Zn atoms to form distorted ZnDy3Zn9 cuboctahedra that share corners with twenty-three ZnDy2Zn10 cuboctahedra, edges with ten ZnDy2Zn10 cuboctahedra, and faces with twenty ZnDy3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.54–2.87 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Dy and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.98 Å. In the third Zn site, Zn is bonded to two equivalent Dy and ten Zn atoms to form ZnDy2Zn10 cuboctahedra that share corners with twenty-two ZnDy2Zn10 cuboctahedra, edges with ten ZnDy2Zn10 cuboctahedra, and faces with eighteen ZnDy3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.59 Å. In the fourth Zn site, Zn is bonded to two equivalent Dy and ten Zn atoms to form distorted ZnDy2Zn10 cuboctahedra that share corners with twenty-four ZnDy2Zn10 cuboctahedra, edges with five ZnDy2Zn10 cuboctahedra, and faces with twenty-one ZnDy3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.67 Å.
DOI: 10.17188/1205302
title: Materials Data on NaClO2 by Materials Project

description: NaClO2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to six equivalent O atoms. There are a spread of Na–O bond distances ranging from 2.44–2.58 Å. O is bonded in a distorted see-saw-like geometry to three equivalent Na and one Cl atom. The O–Cl bond length is 1.59 Å. Cl is bonded in a water-like geometry to two equivalent O atoms.
DOI: 10.17188/1205303
title: Materials Data on Tb12Co7 by Materials Project

description: Tb12Co7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Tb sites. In the first Tb site, Tb is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.10 Å. In the second Tb site, Tb is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Tb–Co bond distances ranging from 2.75–3.01 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Tb–Co bond distances ranging from 2.79–3.07 Å. In the fourth Tb site, Tb is bonded in a 4-coordinate geometry to five Co atoms. There are a spread of Tb–Co bond distances ranging from 2.83–3.41 Å. In the fifth Tb site, Tb is bonded to four Co atoms to form distorted corner-sharing TbCo4 tetrahedra. There are a spread of Tb–Co bond distances ranging from 2.75–3.01 Å. In the sixth Tb site, Tb is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Tb–Co bond distances ranging from 2.75–3.19 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Tb and one Co atom. The Co–Co bond length is 2.29 Å. In the second Co site, Co is bonded in a body-centered cubic geometry to eight Tb atoms. In the third Co site, Co is bonded in a 10-coordinate geometry to seven Tb and one Co atom. In the fourth Co site, Co is bonded in a 8-coordinate geometry to eight Tb atoms.
DOI: 10.17188/1205304
title: Materials Data on Ho12Co7 by Materials Project

description: Ho12Co7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Ho sites. In the first Ho site, Ho is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Ho–Co bond distances ranging from 2.86–3.08 Å. In the second Ho site, Ho is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Ho–Co bond distances ranging from 2.74–2.95 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Ho–Co bond distances ranging from 2.78–3.01 Å. In the fourth Ho site, Ho is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Ho–Co bond distances ranging from 2.80–3.35 Å. In the fifth Ho site, Ho is bonded to four Co atoms to form distorted corner-sharing HoCo4 tetrahedra. There are a spread of Ho–Co bond distances ranging from 2.72–2.98 Å. In the sixth Ho site, Ho is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Ho–Co bond distances ranging from 2.73–3.13 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Ho and one Co atom. The Co–Co bond length is 2.30 Å. In the second Co site, Co is bonded in a body-centered cubic geometry to eight Ho atoms. In the third Co site, Co is bonded in a 10-coordinate geometry to seven Ho and one Co atom. In the fourth Co site, Co is bonded in a 8-coordinate geometry to eight Ho atoms.
DOI: 10.17188/1205305
title: Materials Data on Tb(SiRh)2 by Materials Project

description: TbRh2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Tb–Rh bond lengths are 3.23 Å. All Tb–Si bond lengths are 3.13 Å. Rh is bonded to four equivalent Tb and four equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing RhTb4Si4 tetrahedra. All Rh–Si bond lengths are 2.41 Å. Si is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.44 Å.
DOI: 10.17188/1205306
title: Materials Data on Er12Co7 by Materials Project

description: Er12Co7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Er–Co bond distances ranging from 2.85–3.08 Å. In the second Er site, Er is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Er–Co bond distances ranging from 2.74–2.92 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to five Co atoms. There are a spread of Er–Co bond distances ranging from 2.78–3.43 Å. In the fourth Er site, Er is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Er–Co bond distances ranging from 2.79–3.33 Å. In the fifth Er site, Er is bonded to five Co atoms to form distorted corner-sharing ErCo5 tetrahedra. There are a spread of Er–Co bond distances ranging from 2.71–3.50 Å. In the sixth Er site, Er is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Er–Co bond distances ranging from 2.72–3.09 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Er and one Co atom. The Co–Co bond length is 2.31 Å. In the second Co site, Co is bonded in a body-centered cubic geometry to eight Er atoms. In the third Co site, Co is bonded in a 10-coordinate geometry to nine Er and one Co atom. In the fourth Co site, Co is bonded in a 8-coordinate geometry to eight Er atoms.
DOI: 10.17188/1205307
title: Materials Data on CuTe2Cl by Materials Project

description: CuTe2Cl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu3+ is bonded to two Te1- and two equivalent Cl1- atoms to form distorted corner-sharing CuTe2Cl2 tetrahedra. There are one shorter (2.55 Å) and one longer (2.56 Å) Cu–Te bond lengths. Both Cu–Cl bond lengths are 2.35 Å. There are two inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 5-coordinate geometry to one Cu3+, two equivalent Te1-, and two equivalent Cl1- atoms. There are one shorter (2.73 Å) and one longer (2.89 Å) Te–Te bond lengths. There are one shorter (3.52 Å) and one longer (3.56 Å) Te–Cl bond lengths. In the second Te1- site, Te1- is bonded in a 1-coordinate geometry to one Cu3+ and two equivalent Te1- atoms. Cl1- is bonded in a distorted water-like geometry to two equivalent Cu3+ and two equivalent Te1- atoms.
DOI: 10.17188/1205308
title: Materials Data on Na2Sb4O7 by Materials Project

description: Na2Sb4O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.55 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.21 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.38 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Sb3+ atoms to form a mixture of distorted corner and edge-sharing ONa2Sb2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Na1+ and two Sb3+ atoms to form a mixture of distorted corner and edge-sharing ONa2Sb2 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Sb3+ atoms to form a mixture of distorted corner and edge-sharing ONa2Sb2 tetrahedra.
DOI: 10.17188/1205309
title: Materials Data on Ni3(BiSe)2 by Materials Project

description: Ni3Bi2Se2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted linear geometry to four Bi and two equivalent Se atoms. There are two shorter (2.77 Å) and two longer (2.86 Å) Ni–Bi bond lengths. Both Ni–Se bond lengths are 2.31 Å. In the second Ni site, Ni is bonded in a distorted linear geometry to four Bi and two equivalent Se atoms. There are a spread of Ni–Bi bond distances ranging from 2.77–2.90 Å. Both Ni–Se bond lengths are 2.31 Å. In the third Ni site, Ni is bonded in a distorted linear geometry to four Bi and two equivalent Se atoms. There are two shorter (2.80 Å) and two longer (2.85 Å) Ni–Bi bond lengths. Both Ni–Se bond lengths are 2.31 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to six Ni atoms. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six Ni atoms. Se is bonded in a 3-coordinate geometry to three Ni atoms.
DOI: 10.17188/1205310
title: Materials Data on CsWCl6 by Materials Project

description: CsWCl6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded to twelve Cl1- atoms to form CsCl12 cuboctahedra that share corners with four equivalent CsCl12 cuboctahedra, corners with two equivalent WCl6 octahedra, edges with four equivalent CsCl12 cuboctahedra, edges with two equivalent WCl6 octahedra, and faces with two equivalent WCl6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Cs–Cl bond distances ranging from 3.74–3.87 Å. W5+ is bonded to six Cl1- atoms to form WCl6 octahedra that share corners with two equivalent CsCl12 cuboctahedra, edges with two equivalent CsCl12 cuboctahedra, and faces with two equivalent CsCl12 cuboctahedra. All W–Cl bond lengths are 2.35 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one W5+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one W5+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one W5+ atom.
DOI: 10.17188/1205311
title: Materials Data on Na3BO3 by Materials Project

description: Na3BO3 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 four O2- atoms to form distorted edge-sharing NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.29–2.52 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.98 Å. In the third Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.52 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Na1+ and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Na1+ and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five Na1+ and one B3+ atom.
DOI: 10.17188/1205312
title: Materials Data on B5H6Br by Materials Project

description: (BH)2B3H4Br crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen boranediylradical molecules and eight B3H4Br clusters. In each B3H4Br cluster, there are three inequivalent B+0.60- sites. In the first B+0.60- site, B+0.60- is bonded in a distorted water-like geometry to one H+0.67+ and one Br1- atom. The B–H bond length is 1.33 Å. The B–Br bond length is 1.95 Å. In the second B+0.60- site, B+0.60- is bonded in a distorted trigonal non-coplanar geometry to three H+0.67+ atoms. There are a spread of B–H bond distances ranging from 1.19–1.35 Å. In the third B+0.60- site, B+0.60- is bonded in a distorted water-like geometry to two H+0.67+ atoms. There is one shorter (1.19 Å) and one longer (1.33 Å) B–H bond length. There are four inequivalent H+0.67+ sites. In the first H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to two B+0.60- atoms. In the second H+0.67+ site, H+0.67+ is bonded in a single-bond geometry to one B+0.60- atom. In the third H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to two B+0.60- atoms. In the fourth H+0.67+ site, H+0.67+ is bonded in a single-bond geometry to one B+0.60- atom. Br1- is bonded in a single-bond geometry to one B+0.60- atom.
DOI: 10.17188/1205313
title: Materials Data on KAl2Br7 by Materials Project

description: KAl2Br7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of K–Br bond distances ranging from 3.43–3.83 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Br1- atoms to form corner-sharing AlBr4 tetrahedra. There are a spread of Al–Br bond distances ranging from 2.30–2.47 Å. In the second Al3+ site, Al3+ is bonded to four Br1- atoms to form corner-sharing AlBr4 tetrahedra. There are a spread of Al–Br bond distances ranging from 2.30–2.45 Å. There are seven inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to one K1+ and one Al3+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one K1+ and one Al3+ atom. In the third Br1- site, Br1- is bonded in a water-like geometry to two Al3+ atoms. In the fourth Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Al3+ atom. In the fifth Br1- site, Br1- is bonded in a distorted single-bond geometry to one K1+ and one Al3+ atom. In the sixth Br1- site, Br1- is bonded in a distorted L-shaped geometry to one K1+ and one Al3+ atom. In the seventh Br1- site, Br1- is bonded in a distorted bent 120 degrees geometry to one K1+ and one Al3+ atom.
DOI: 10.17188/1205314
title: Materials Data on GaPS4 by Materials Project

description: GaPS4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one GaPS4 sheet oriented in the (1, 0, 0) direction. Ga3+ is bonded to four S2- atoms to form GaS4 tetrahedra that share corners with two equivalent PS4 tetrahedra and an edgeedge with one PS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.29–2.32 Å. P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share corners with two equivalent GaS4 tetrahedra and an edgeedge with one GaS4 tetrahedra. There are one shorter (2.06 Å) and three longer (2.07 Å) P–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to one Ga3+ and one P5+ atom. In the second S2- site, S2- is bonded in an L-shaped geometry to one Ga3+ and one P5+ atom. In the third S2- site, S2- is bonded in a water-like geometry to one Ga3+ and one P5+ atom. In the fourth S2- site, S2- is bonded in a water-like geometry to one Ga3+ and one P5+ atom.
DOI: 10.17188/1205315
title: Materials Data on AlCuO2 by Materials Project

description: CuAlO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.88 Å. Al3+ is bonded to six equivalent O2- atoms to form edge-sharing AlO6 octahedra. All Al–O bond lengths are 1.93 Å. O2- is bonded to one Cu1+ and three equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OAl3Cu tetrahedra.
DOI: 10.17188/1205316
title: Materials Data on NaYO2 by Materials Project

description: NaYO2 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four YO6 octahedra, edges with five NaO6 octahedra, and edges with seven YO6 octahedra. The corner-sharing octahedra tilt angles range from 0–14°. There are a spread of Na–O bond distances ranging from 2.41–2.74 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four YO6 octahedra, edges with five NaO6 octahedra, and edges with seven YO6 octahedra. The corner-sharing octahedra tilt angles range from 7–13°. There are a spread of Na–O bond distances ranging from 2.43–2.75 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six O2- atoms to form YO6 octahedra that share corners with two equivalent YO6 octahedra, corners with four NaO6 octahedra, edges with five YO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 7–14°. There are a spread of Y–O bond distances ranging from 2.30–2.33 Å. In the second Y3+ site, Y3+ is bonded to six O2- atoms to form YO6 octahedra that share corners with two equivalent YO6 octahedra, corners with four NaO6 octahedra, edges with five YO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are four shorter (2.31 Å) and two longer (2.32 Å) Y–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Na1+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing ONa3Y3 octahedra. The corner-sharing octahedra tilt angles range from 2–12°. In the second O2- site, O2- is bonded to three Na1+ and three Y3+ atoms to form a mixture of edge and corner-sharing ONa3Y3 octahedra. The corner-sharing octahedra tilt angles range from 3–12°.