cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1282692
title: Materials Data on Sr4Nb2O9 by Materials Project

description: Sr4Nb2O9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are five inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.66–3.10 Å. In the second Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six NbO6 octahedra. The corner-sharing octahedra tilt angles range from 7–28°. There are two shorter (2.39 Å) and four longer (2.40 Å) Sr–O bond lengths. In the third Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–3.13 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.20 Å. In the fifth Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six NbO6 octahedra. The corner-sharing octahedra tilt angles range from 6–32°. There are a spread of Sr–O bond distances ranging from 2.37–2.50 Å. There are three inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra and corners with four SrO6 octahedra. The corner-sharing octahedra tilt angles range from 4–7°. There are a spread of Nb–O bond distances ranging from 1.97–2.14 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form distorted NbO6 octahedra that share corners with two equivalent NbO6 octahedra and corners with four SrO6 octahedra. The corner-sharing octahedra tilt angles range from 6–32°. There are a spread of Nb–O bond distances ranging from 1.89–2.37 Å. In the third Nb5+ site, Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 4–8°. There are a spread of Nb–O bond distances ranging from 1.92–2.19 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to five Sr2+ and one Nb5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Sr2+ and two Nb5+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two Nb5+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four Sr2+ and two Nb5+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to four Sr2+ and one Nb5+ atom. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Nb5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to five Sr2+ and one Nb5+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Nb5+ atom.
DOI: 10.17188/1282693
title: Materials Data on BH6N by Materials Project

description: NH3BH3 is Silicon tetrafluoride-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of three NH3BH3 clusters. B3- is bonded in a tetrahedral geometry to one N3- and three H1+ atoms. The B–N bond length is 1.61 Å. There is two shorter (1.22 Å) and one longer (1.23 Å) B–H bond length. N3- is bonded in a tetrahedral geometry to one B3- and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom.
DOI: 10.17188/1282694
title: Materials Data on LiPrS2 by Materials Project

description: LiPrS2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of two LiPrS2 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.79–2.89 Å. Pr3+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Pr–S bond distances ranging from 2.82–2.87 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent Pr3+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent Pr3+ atoms.
DOI: 10.17188/1282695
title: Materials Data on Pr4Ag2Se7 by Materials Project

description: Pr4Ag2Se7 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are four inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pr–Se bond distances ranging from 3.00–3.50 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pr–Se bond distances ranging from 2.96–3.53 Å. In the third Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pr–Se bond distances ranging from 3.01–3.44 Å. In the fourth Pr3+ site, Pr3+ is bonded to six Se2- atoms to form distorted PrSe6 pentagonal pyramids that share corners with two equivalent PrSe6 pentagonal pyramids, corners with four AgSe6 pentagonal pyramids, edges with two equivalent AgSe6 pentagonal pyramids, and faces with two equivalent AgSe6 pentagonal pyramids. There are a spread of Pr–Se bond distances ranging from 2.85–3.21 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to six Se2- atoms to form distorted AgSe6 pentagonal pyramids that share corners with two equivalent PrSe6 pentagonal pyramids, corners with four equivalent AgSe6 pentagonal pyramids, an edgeedge with one AgSe6 pentagonal pyramid, and edges with two equivalent PrSe6 pentagonal pyramids. There are a spread of Ag–Se bond distances ranging from 2.70–3.24 Å. In the second Ag1+ site, Ag1+ is bonded to six Se2- atoms to form distorted AgSe6 pentagonal pyramids that share corners with two equivalent PrSe6 pentagonal pyramids, corners with four equivalent AgSe6 pentagonal pyramids, edges with three AgSe6 pentagonal pyramids, and faces with two equivalent PrSe6 pentagonal pyramids. There are a spread of Ag–Se bond distances ranging from 2.75–3.35 Å. There are seven inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to six Pr3+ atoms. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to five Pr3+ and one Ag1+ atom. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to five Pr3+ and one Ag1+ atom. In the fourth Se2- site, Se2- is bonded in a 6-coordinate geometry to four Pr3+ and two Ag1+ atoms. In the fifth Se2- site, Se2- is bonded in a 6-coordinate geometry to three Pr3+ and three Ag1+ atoms. In the sixth Se2- site, Se2- is bonded in a 6-coordinate geometry to three Pr3+ and three Ag1+ atoms. In the seventh Se2- site, Se2- is bonded in a 6-coordinate geometry to four Pr3+ and two Ag1+ atoms.
DOI: 10.17188/1282696
title: Materials Data on Ba2P2O7 by Materials Project

description: Ba2P2O7 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.85–3.14 Å. In the second Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.92–3.24 Å. In the third 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 2.73–3.06 Å. In the fourth Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.80 Å) and four longer (2.93 Å) Ba–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is three shorter (1.53 Å) and one longer (1.64 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is three shorter (1.54 Å) and one longer (1.61 Å) P–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ba2+ and two equivalent P5+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ba2+ and two equivalent P5+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one P5+ atom.
DOI: 10.17188/1282698
title: Materials Data on Ba3PrF9 by Materials Project

description: Ba3PrF9 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to seven F1- atoms. There are a spread of Ba–F bond distances ranging from 2.62–2.81 Å. In the second Ba2+ site, Ba2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Ba–F bond distances ranging from 2.65–2.87 Å. In the third Ba2+ site, Ba2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Ba–F bond distances ranging from 2.59–2.80 Å. Pr3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pr–F bond distances ranging from 2.41–2.65 Å. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded to four Ba2+ atoms to form FBa4 tetrahedra that share corners with thirteen FBa4 tetrahedra and edges with six FBa3Pr tetrahedra. In the second F1- site, F1- is bonded to four Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra. In the third F1- site, F1- is bonded to three equivalent Ba2+ and one Pr3+ atom to form distorted FBa3Pr tetrahedra that share corners with thirteen FBa3Pr tetrahedra and edges with three equivalent FBa4 tetrahedra. In the fourth F1- site, F1- is bonded to four Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra. In the fifth F1- site, F1- is bonded to four Ba2+ atoms to form FBa4 tetrahedra that share corners with thirteen FBa4 tetrahedra and edges with six FBa3Pr tetrahedra. In the sixth F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Pr3+ atoms. In the seventh F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to one Ba2+ and two equivalent Pr3+ atoms. In the eighth F1- site, F1- is bonded in a distorted single-bond geometry to one Pr3+ atom. In the ninth F1- site, F1- is bonded to three equivalent Ba2+ and one Pr3+ atom to form a mixture of distorted edge and corner-sharing FBa3Pr tetrahedra.
DOI: 10.17188/1282700
title: Materials Data on Mn2SbTe by Materials Project

description: Mn2SbTe is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to three Sb2- and three Te2- atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. There are two shorter (2.84 Å) and one longer (2.85 Å) Mn–Sb bond lengths. There are a spread of Mn–Te bond distances ranging from 2.84–2.95 Å. In the second Mn2+ site, Mn2+ is bonded to three Sb2- and three Te2- atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. There are a spread of Mn–Sb bond distances ranging from 2.83–2.87 Å. There are a spread of Mn–Te bond distances ranging from 2.85–2.91 Å. In the third Mn2+ site, Mn2+ is bonded to three Sb2- and three Te2- atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. There are a spread of Mn–Sb bond distances ranging from 2.85–2.87 Å. There are one shorter (2.81 Å) and two longer (2.88 Å) Mn–Te bond lengths. In the fourth Mn2+ site, Mn2+ is bonded to three Sb2- and three Te2- atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. There are a spread of Mn–Sb bond distances ranging from 2.84–2.91 Å. There are a spread of Mn–Te bond distances ranging from 2.81–2.88 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded to six Mn2+ atoms to form SbMn6 octahedra that share corners with four equivalent TeMn6 octahedra, corners with eight equivalent SbMn6 octahedra, edges with two equivalent SbMn6 octahedra, edges with four equivalent TeMn6 octahedra, and faces with two equivalent TeMn6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. In the second Sb2- site, Sb2- is bonded to six Mn2+ atoms to form SbMn6 octahedra that share corners with four equivalent TeMn6 octahedra, corners with eight equivalent SbMn6 octahedra, edges with two equivalent SbMn6 octahedra, edges with four equivalent TeMn6 octahedra, and faces with two equivalent TeMn6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six Mn2+ atoms to form TeMn6 octahedra that share corners with four equivalent SbMn6 octahedra, corners with eight equivalent TeMn6 octahedra, edges with two equivalent TeMn6 octahedra, edges with four equivalent SbMn6 octahedra, and faces with two equivalent SbMn6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. In the second Te2- site, Te2- is bonded to six Mn2+ atoms to form TeMn6 octahedra that share corners with four equivalent SbMn6 octahedra, corners with eight equivalent TeMn6 octahedra, edges with two equivalent TeMn6 octahedra, edges with four equivalent SbMn6 octahedra, and faces with two equivalent SbMn6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°.
DOI: 10.17188/1282702
title: Materials Data on Sm2Zr2O7 by Materials Project

description: Sm2Zr2O7 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.24 Å) and two longer (2.39 Å) Sm–O bond lengths. In the second Sm3+ site, Sm3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing SmO6 octahedra. The corner-sharing octahedral tilt angles are 72°. There are four shorter (2.34 Å) and two longer (2.35 Å) Sm–O bond lengths. There are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.17–2.60 Å. In the second Zr4+ site, Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.22–2.39 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Zr4+ atoms to form OZr4 tetrahedra that share corners with sixteen OZr4 tetrahedra and edges with six OSmZr3 tetrahedra. In the second O2- site, O2- is bonded to one Sm3+ and three Zr4+ atoms to form a mixture of corner and edge-sharing OSmZr3 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Zr4+ atoms to form a mixture of corner and edge-sharing OSm2Zr2 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Zr4+ atoms to form a mixture of corner and edge-sharing OSm2Zr2 tetrahedra. In the fifth O2- site, O2- is bonded to three Sm3+ and one Zr4+ atom to form distorted OSm3Zr tetrahedra that share corners with fourteen OZr4 tetrahedra and edges with four OSmZr3 tetrahedra.
DOI: 10.17188/1282703
title: Materials Data on GaGeS4 by Materials Project

description: Ge(Ga)S4 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S+1.75- atoms to form GaS4 tetrahedra that share a cornercorner with one GaS4 tetrahedra and corners with three GeS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.28–2.31 Å. In the second Ga3+ site, Ga3+ is bonded to four S+1.75- atoms to form GaS4 tetrahedra that share a cornercorner with one GaS4 tetrahedra and corners with three GeS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.27–2.30 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S+1.75- atoms to form GeS4 tetrahedra that share a cornercorner with one GeS4 tetrahedra and corners with three GaS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.21–2.25 Å. In the second Ge4+ site, Ge4+ is bonded to four S+1.75- atoms to form GeS4 tetrahedra that share a cornercorner with one GeS4 tetrahedra and corners with three GaS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.21–2.26 Å. There are eight inequivalent S+1.75- sites. In the first S+1.75- site, S+1.75- is bonded in a water-like geometry to one Ga3+ and one Ge4+ atom. In the second S+1.75- site, S+1.75- is bonded in a water-like geometry to two Ga3+ atoms. In the third S+1.75- site, S+1.75- is bonded in a water-like geometry to one Ga3+ and one Ge4+ atom. In the fourth S+1.75- site, S+1.75- is bonded in a water-like geometry to two Ge4+ atoms. In the fifth S+1.75- site, S+1.75- is bonded in a water-like geometry to one Ga3+ and one Ge4+ atom. In the sixth S+1.75- site, S+1.75- is bonded in a water-like geometry to one Ga3+ and one Ge4+ atom. In the seventh S+1.75- site, S+1.75- is bonded in a water-like geometry to one Ga3+ and one Ge4+ atom. In the eighth S+1.75- site, S+1.75- is bonded in a water-like geometry to one Ga3+ and one Ge4+ atom.
DOI: 10.17188/1282704
title: Materials Data on Li2UBr6 by Materials Project

description: Li2UBr6 is trigonal omega-derived structured and crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of four Li2UBr6 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded to six equivalent Br1- atoms to form LiBr6 octahedra that share edges with three equivalent LiBr6 octahedra and edges with three equivalent UBr6 octahedra. All Li–Br bond lengths are 2.79 Å. U4+ is bonded to six equivalent Br1- atoms to form UBr6 octahedra that share edges with six equivalent LiBr6 octahedra. All U–Br bond lengths are 2.79 Å. Br1- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one U4+ atom.
DOI: 10.17188/1282705
title: Materials Data on Sr(YbS2)2 by Materials Project

description: Sr(YbS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (3.00 Å) and four longer (3.20 Å) Sr–S bond lengths. Yb3+ is bonded to eight equivalent S2- atoms to form a mixture of distorted face, edge, and corner-sharing YbS8 hexagonal bipyramids. There are a spread of Yb–S bond distances ranging from 2.82–2.98 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Sr2+ and four equivalent Yb3+ atoms.
DOI: 10.17188/1282706
title: Materials Data on NaRuO2 by Materials Project

description: NaRuO2 is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.69 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.59 Å. In the third Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.69 Å. In the fourth Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.58 Å. There are four inequivalent Ru3+ sites. In the first Ru3+ site, Ru3+ is bonded to six O2- atoms to form edge-sharing RuO6 octahedra. There are a spread of Ru–O bond distances ranging from 2.09–2.12 Å. In the second Ru3+ site, Ru3+ is bonded to six O2- atoms to form edge-sharing RuO6 octahedra. There are four shorter (2.10 Å) and two longer (2.11 Å) Ru–O bond lengths. In the third Ru3+ site, Ru3+ is bonded to six O2- atoms to form edge-sharing RuO6 octahedra. There are a spread of Ru–O bond distances ranging from 2.09–2.11 Å. In the fourth Ru3+ site, Ru3+ is bonded to six O2- atoms to form edge-sharing RuO6 octahedra. There are a spread of Ru–O bond distances ranging from 2.10–2.12 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to three Na1+ and three Ru3+ atoms to form edge-sharing ONa3Ru3 octahedra. In the second O2- site, O2- is bonded to three Na1+ and three Ru3+ atoms to form edge-sharing ONa3Ru3 octahedra. In the third O2- site, O2- is bonded to three Na1+ and three Ru3+ atoms to form edge-sharing ONa3Ru3 octahedra. In the fourth O2- site, O2- is bonded to three Na1+ and three Ru3+ atoms to form edge-sharing ONa3Ru3 octahedra. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to three Na1+ and three Ru3+ atoms. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to three Na1+ and three Ru3+ atoms. In the seventh O2- site, O2- is bonded in a 6-coordinate geometry to three Na1+ and three Ru3+ atoms. In the eighth O2- site, O2- is bonded in a 6-coordinate geometry to three Na1+ and three Ru3+ atoms.