cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1298672
title: Materials Data on Dy2(SeO4)3 by Materials Project

description: Dy2(SeO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.27–2.56 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.66–1.71 Å. In the second Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.66 Å) and two longer (1.70 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Dy3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Dy3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Dy3+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Dy3+ and one Se6+ atom.
DOI: 10.17188/1298673
title: Materials Data on Ni(PS3)2 by Materials Project

description: Ni(PS3)2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one Ni(PS3)2 sheet oriented in the (0, 0, 1) direction. Ni2+ is bonded in an octahedral geometry to six S2- atoms. All Ni–S bond lengths are 2.36 Å. P5+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.04 Å) and one longer (2.05 Å) P–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to one Ni2+ and one P5+ atom. In the second S2- site, S2- is bonded in a water-like geometry to one Ni2+ and one P5+ atom. In the third S2- site, S2- is bonded in a water-like geometry to one Ni2+ and one P5+ atom.
DOI: 10.17188/1298674
title: Materials Data on Dy2Pb2O7 by Materials Project

description: Dy2Pb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Dy3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.33 Å) and six longer (2.50 Å) Dy–O bond lengths. Pb4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing PbO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Pb–O bond lengths are 2.19 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Pb4+ atoms to form a mixture of corner and edge-sharing ODy2Pb2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Dy3+ atoms to form a mixture of corner and edge-sharing ODy4 tetrahedra.
DOI: 10.17188/1298675
title: Materials Data on Cs5YO4 by Materials Project

description: Cs5YO4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.95–3.27 Å. In the second Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.84 Å) and two longer (3.53 Å) Cs–O bond lengths. Y3+ is bonded in a tetrahedral geometry to four O2- atoms. There are two shorter (2.18 Å) and two longer (2.20 Å) Y–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one Y3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one Y3+ atom.
DOI: 10.17188/1298676
title: Materials Data on Ho2Bi2O7 by Materials Project

description: Ho2Bi2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ho3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.36 Å) and six longer (2.51 Å) Ho–O bond lengths. Bi4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Bi–O bond lengths are 2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Bi4+ atoms to form a mixture of edge and corner-sharing OHo2Bi2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Ho3+ atoms to form a mixture of edge and corner-sharing OHo4 tetrahedra.
DOI: 10.17188/1298677
title: Materials Data on Dy2(SeO4)3 by Materials Project

description: Dy2(SeO4)3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Dy3+ is bonded to six O2- atoms to form DyO6 octahedra that share corners with six SeO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.23–2.27 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four equivalent DyO6 octahedra. The corner-sharing octahedra tilt angles range from 16–28°. All Se–O bond lengths are 1.66 Å. In the second Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four equivalent DyO6 octahedra. The corner-sharing octahedra tilt angles range from 3–38°. There is three shorter (1.66 Å) and one longer (1.67 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Dy3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Dy3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Dy3+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Dy3+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Dy3+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Dy3+ and one Se6+ atom.
DOI: 10.17188/1298678
title: Materials Data on CeReO4 by Materials Project

description: CeReO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce3+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.25–2.98 Å. Re5+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 31–37°. There are a spread of Re–O bond distances ranging from 1.94–2.06 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ce3+ and two equivalent Re5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ce3+ and two equivalent Re5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Ce3+ and one Re5+ atom. In the fourth O2- site, O2- is bonded to three equivalent Ce3+ and one Re5+ atom to form a mixture of distorted edge and corner-sharing OCe3Re tetrahedra.
DOI: 10.17188/1298679
title: Materials Data on Li2Cu(HO)4 by Materials Project

description: Li2Cu(HO)4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to one H1+ and five O2- atoms. The Li–H bond length is 2.17 Å. There are a spread of Li–O bond distances ranging from 2.02–2.43 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form distorted corner-sharing LiO6 octahedra. The corner-sharing octahedra tilt angles range from 13–20°. There are a spread of Li–O bond distances ranging from 2.21–2.31 Å. Cu2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.96 Å) and two longer (2.02 Å) Cu–O bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one Li1+ and one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Li1+, one Cu2+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Li1+, one Cu2+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Li1+, one Cu2+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Li1+, one Cu2+, and one H1+ atom.
DOI: 10.17188/1298680
title: Materials Data on Sr4Ta2O9 by Materials Project

description: Sr4Ta2O9 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six TaO6 octahedra. The corner-sharing octahedra tilt angles range from 30–34°. There are a spread of Sr–O bond distances ranging from 2.41–2.45 Å. In the second Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six TaO6 octahedra. The corner-sharing octahedra tilt angles range from 31–36°. There are a spread of Sr–O bond distances ranging from 2.42–2.44 Å. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.91 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–3.00 Å. In the fifth Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–3.07 Å. There are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with three SrO6 octahedra and corners with three TaO6 octahedra. The corner-sharing octahedra tilt angles range from 22–36°. There are a spread of Ta–O bond distances ranging from 1.92–2.19 Å. In the second Ta5+ site, Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with three SrO6 octahedra and corners with three TaO6 octahedra. The corner-sharing octahedra tilt angles range from 25–34°. There are a spread of Ta–O bond distances ranging from 1.94–2.19 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded to two Sr2+ and two Ta5+ atoms to form distorted corner-sharing OSr2Ta2 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ta5+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Ta5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four Sr2+ and one Ta5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to four Sr2+ and one Ta5+ atom. In the seventh O2- site, O2- is bonded to three Sr2+ and one Ta5+ atom to form distorted corner-sharing OSr3Ta tetrahedra. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ta5+ atom. In the ninth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1298681
title: Materials Data on Sr3Ta2O8 by Materials Project

description: Sr3Ta2O8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.35–2.83 Å. In the second Sr2+ site, Sr2+ is bonded to six O2- atoms to form distorted SrO6 pentagonal pyramids that share corners with four equivalent TaO6 octahedra and edges with two equivalent TaO6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are a spread of Sr–O bond distances ranging from 2.34–2.58 Å. Ta5+ is bonded to six O2- atoms to form distorted TaO6 octahedra that share corners with two equivalent SrO6 pentagonal pyramids, edges with two equivalent TaO6 octahedra, and an edgeedge with one SrO6 pentagonal pyramid. There are a spread of Ta–O bond distances ranging from 1.93–2.11 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ta5+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Sr2+ and one Ta5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1298682
title: Materials Data on Dy2SeO2 by Materials Project

description: Dy2O2Se crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All Dy–Se bond lengths are 3.32 Å. All Dy–O bond lengths are 2.23 Å. Se2- is bonded in a body-centered cubic geometry to eight equivalent Dy3+ atoms. O2- is bonded to four equivalent Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra.
DOI: 10.17188/1298683
title: Materials Data on Li2CuAsO4 by Materials Project

description: Li2CuAsO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra and corners with four equivalent AsO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.99–2.07 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.97–2.47 Å. Cu1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.91–2.55 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+ and one As5+ atom to form distorted OLi3As tetrahedra that share corners with two equivalent OLi3As tetrahedra, corners with two equivalent OLi2CuAs trigonal pyramids, and an edgeedge with one OLi2CuAs trigonal pyramid. In the second O2- site, O2- is bonded to two Li1+, one Cu1+, and one As5+ atom to form a mixture of distorted edge and corner-sharing OLi2CuAs trigonal pyramids. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Cu1+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Li1+, two equivalent Cu1+, and one As5+ atom.
DOI: 10.17188/1298684
title: Materials Data on Li4Cu4Cl10O by Materials Project

description: Li4Cu4OCl10 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six Cl1- atoms to form distorted corner-sharing LiCl6 octahedra. The corner-sharing octahedra tilt angles range from 47–59°. There are a spread of Li–Cl bond distances ranging from 2.41–3.04 Å. In the second Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of Li–Cl bond distances ranging from 2.49–3.03 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to one O2- and four Cl1- atoms. The Cu–O bond length is 2.00 Å. There are a spread of Cu–Cl bond distances ranging from 2.23–2.98 Å. In the second Cu2+ site, Cu2+ is bonded in a 5-coordinate geometry to one O2- and four Cl1- atoms. The Cu–O bond length is 1.91 Å. There are a spread of Cu–Cl bond distances ranging from 2.27–2.78 Å. O2- is bonded to four Cu2+ atoms to form OCu4 tetrahedra that share corners with two equivalent ClLi3Cu trigonal pyramids. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three Li1+ and one Cu2+ atom. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two Li1+ and two Cu2+ atoms. In the third Cl1- site, Cl1- is bonded to three Li1+ and one Cu2+ atom to form distorted ClLi3Cu trigonal pyramids that share a cornercorner with one OCu4 tetrahedra and corners with two equivalent ClLi3Cu trigonal pyramids. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two Li1+ and two Cu2+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Cu2+ atoms. In the sixth Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cu2+ atoms.
DOI: 10.17188/1298685
title: Materials Data on Na6Sn2C4SO16 by Materials Project

description: Na6Sn2C4SO16 crystallizes in the cubic Fd-3 space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with eight equivalent NaO6 octahedra, edges with two equivalent SnO6 octahedra, and an edgeedge with one SO4 tetrahedra. The corner-sharing octahedra tilt angles range from 61–80°. There are a spread of Na–O bond distances ranging from 2.45–2.49 Å. Sn2+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share edges with six equivalent NaO6 octahedra. All Sn–O bond lengths are 2.51 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. S6+ is bonded to four equivalent O2- atoms to form SO4 tetrahedra that share edges with six equivalent NaO6 octahedra. All S–O bond lengths are 1.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+, one Sn2+, and one C4+ atom. In the second O2- site, O2- is bonded to three equivalent Na1+ and one S6+ atom to form distorted edge-sharing ONa3S trigonal pyramids.
DOI: 10.17188/1298686
title: Materials Data on K5YO4 by Materials Project

description: K5YO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.59–3.28 Å. In the second K1+ site, K1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.77–2.90 Å. In the third K1+ site, K1+ is bonded to four O2- atoms to form distorted KO4 tetrahedra that share corners with two equivalent KO4 tetrahedra, corners with two equivalent YO4 tetrahedra, and an edgeedge with one YO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.70–2.96 Å. In the fourth K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.69–2.93 Å. In the fifth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.19 Å. Y3+ is bonded to four O2- atoms to form YO4 tetrahedra that share corners with two equivalent KO4 tetrahedra and an edgeedge with one KO4 tetrahedra. There are two shorter (2.16 Å) and two longer (2.17 Å) Y–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one Y3+ atom. In the second O2- site, O2- is bonded to five K1+ and one Y3+ atom to form a mixture of distorted corner and edge-sharing OK5Y octahedra. The corner-sharing octahedra tilt angles range from 54–72°. In the third O2- site, O2- is bonded in a 7-coordinate geometry to six K1+ and one Y3+ atom. In the fourth O2- site, O2- is bonded to five K1+ and one Y3+ atom to form a mixture of distorted corner and edge-sharing OK5Y octahedra. The corner-sharing octahedra tilt angles range from 54–72°.
DOI: 10.17188/1298687
title: Materials Data on TbInO3 by Materials Project

description: TbInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Tb–O bond distances ranging from 2.24–2.63 Å. In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 43–47°. There are a spread of In–O bond distances ranging from 2.16–2.24 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tb3+ and two equivalent In3+ atoms to form distorted corner-sharing OTb2In2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tb3+ and two equivalent In3+ atoms.
DOI: 10.17188/1298688
title: Materials Data on Na6Bi2As(CO4)4 by Materials Project

description: Na6Bi2As(CO4)4 crystallizes in the cubic Fd-3 space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with eight equivalent NaO6 octahedra, edges with two equivalent BiO6 octahedra, and an edgeedge with one AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 60–83°. There are a spread of Na–O bond distances ranging from 2.39–2.61 Å. C+3.75+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. Bi3+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share edges with six equivalent NaO6 octahedra. All Bi–O bond lengths are 2.45 Å. As5+ is bonded to four equivalent O2- atoms to form AsO4 tetrahedra that share edges with six equivalent NaO6 octahedra. All As–O bond lengths are 1.73 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+, one C+3.75+, and one Bi3+ atom. In the second O2- site, O2- is bonded to three equivalent Na1+ and one As5+ atom to form edge-sharing ONa3As trigonal pyramids.