cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1289590
title: Materials Data on NaTmO2 by Materials Project

description: NaTmO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent TmO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent TmO6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Na–O bond lengths are 2.53 Å. Tm3+ is bonded to six equivalent O2- atoms to form TmO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent TmO6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tm–O bond lengths are 2.26 Å. O2- is bonded to three equivalent Na1+ and three equivalent Tm3+ atoms to form a mixture of edge and corner-sharing ONa3Tm3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1289591
title: Materials Data on CsScO2 by Materials Project

description: CsScO2 is Cuprite-derived structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve equivalent O2- atoms. All Cs–O bond lengths are 3.77 Å. Sc3+ is bonded to four equivalent O2- atoms to form corner-sharing ScO4 tetrahedra. All Sc–O bond lengths are 1.97 Å. O2- is bonded in a linear geometry to six equivalent Cs1+ and two equivalent Sc3+ atoms.
DOI: 10.17188/1289592
title: Materials Data on Tm2TeO2 by Materials Project

description: Tm2TeO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tm3+ is bonded in a 4-coordinate geometry to three equivalent Te2- and four equivalent O2- atoms. All Tm–Te bond lengths are 3.12 Å. There are one shorter (2.24 Å) and three longer (2.29 Å) Tm–O bond lengths. Te2- is bonded in a 12-coordinate geometry to six equivalent Tm3+ atoms. O2- is bonded to four equivalent Tm3+ atoms to form a mixture of edge and corner-sharing OTm4 tetrahedra.
DOI: 10.17188/1289594
title: Materials Data on Er2TeO2 by Materials Project

description: Er2TeO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to three equivalent Te2- and four equivalent O2- atoms. All Er–Te bond lengths are 3.14 Å. There are one shorter (2.26 Å) and three longer (2.30 Å) Er–O bond lengths. Te2- is bonded in a 12-coordinate geometry to six equivalent Er3+ atoms. O2- is bonded to four equivalent Er3+ atoms to form a mixture of edge and corner-sharing OEr4 tetrahedra.
DOI: 10.17188/1289595
title: Materials Data on Na6CuO4 by Materials Project

description: Na6CuO4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent O2- atoms to form distorted NaO4 tetrahedra that share corners with two equivalent CuO4 tetrahedra, corners with twelve NaO4 tetrahedra, an edgeedge with one CuO4 tetrahedra, and edges with four NaO4 tetrahedra. There are two shorter (2.37 Å) and two longer (2.41 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to four equivalent O2- atoms to form NaO4 tetrahedra that share corners with four equivalent CuO4 tetrahedra, corners with eight equivalent NaO4 tetrahedra, and edges with six NaO4 tetrahedra. There are two shorter (2.27 Å) and two longer (2.36 Å) Na–O bond lengths. Cu2+ is bonded to four equivalent O2- atoms to form distorted CuO4 tetrahedra that share corners with sixteen NaO4 tetrahedra and edges with four equivalent NaO4 tetrahedra. All Cu–O bond lengths are 2.07 Å. O2- is bonded to six Na1+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing ONa6Cu pentagonal bipyramids.
DOI: 10.17188/1289597
title: Materials Data on SnBiO4 by Materials Project

description: SnBiO4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Sn3+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with four equivalent SnO6 octahedra and edges with four equivalent BiO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 23°. There are two shorter (2.10 Å) and four longer (2.14 Å) Sn–O bond lengths. Bi5+ is bonded to six O2- atoms to form distorted BiO6 pentagonal pyramids that share corners with four equivalent BiO6 pentagonal pyramids and edges with four equivalent SnO6 octahedra. There are four shorter (2.19 Å) and two longer (2.30 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Sn3+ and two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Sn3+ and one Bi5+ atom.
DOI: 10.17188/1289598
title: Materials Data on TaAsO4 by Materials Project

description: TaAsO4 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form distorted edge-sharing TaO6 octahedra. There are a spread of Ta–O bond distances ranging from 1.93–2.19 Å. As3+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.85 Å) and two longer (1.86 Å) As–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ta5+ and one As3+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ta5+ and one As3+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ta5+ and one As3+ atom.
DOI: 10.17188/1289599
title: Materials Data on Sc(CuO2)2 by Materials Project

description: Sc(CuO2)2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sc3+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Sc–O bond lengths are 2.02 Å. Cu+2.50+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.90 Å. O2- is bonded in a distorted trigonal planar geometry to one Sc3+ and two equivalent Cu+2.50+ atoms.
DOI: 10.17188/1289600
title: Materials Data on Na2Ti2O5 by Materials Project

description: Na2Ti2O5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.88 Å. Ti4+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing TiO5 trigonal bipyramids. There are a spread of Ti–O bond distances ranging from 1.72–2.08 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Ti4+ atom. In the second O2- site, O2- is bonded to one Na1+ and three equivalent Ti4+ atoms to form a mixture of edge and corner-sharing ONaTi3 tetrahedra. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Na1+ and two equivalent Ti4+ atoms.
DOI: 10.17188/1289601
title: Materials Data on La3Ti2N3O4 by Materials Project

description: La3Ti2N3O4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to eight N3- and four equivalent O2- atoms to form LaN8O4 cuboctahedra that share corners with four equivalent LaN8O4 cuboctahedra, faces with four equivalent LaN8O4 cuboctahedra, and faces with eight equivalent TiN3O3 octahedra. There are four shorter (2.80 Å) and four longer (2.87 Å) La–N bond lengths. All La–O bond lengths are 2.92 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to two equivalent N3- and seven O2- atoms. Both La–N bond lengths are 2.57 Å. There are a spread of La–O bond distances ranging from 2.35–2.84 Å. Ti4+ is bonded to three N3- and three O2- atoms to form TiN3O3 octahedra that share corners with five equivalent TiN3O3 octahedra and faces with four equivalent LaN8O4 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–11°. There is one shorter (1.94 Å) and two longer (2.01 Å) Ti–N bond length. There are two shorter (1.96 Å) and one longer (2.32 Å) Ti–O bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Ti4+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to four La3+ and two equivalent Ti4+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four La3+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five equivalent La3+ and one Ti4+ atom.
DOI: 10.17188/1289602
title: Materials Data on Ce2Nd2O7 by Materials Project

description: Nd2Ce2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.40 Å) and six longer (2.59 Å) Nd–O bond lengths. Ce4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Ce–O bond lengths are 2.24 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Nd3+ and two equivalent Ce4+ atoms to form a mixture of distorted corner and edge-sharing OCe2Nd2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Nd3+ atoms to form a mixture of corner and edge-sharing ONd4 tetrahedra.
DOI: 10.17188/1289603
title: Materials Data on Na2SnO3 by Materials Project

description: Na2SnO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Fddd 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 SnO6 octahedra, corners with four NaO6 octahedra, edges with five equivalent SnO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 10–14°. There are a spread of Na–O bond distances ranging from 2.34–2.45 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 equivalent SnO6 octahedra, edges with four equivalent SnO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 11–13°. There are a spread of Na–O bond distances ranging from 2.35–2.53 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent SnO6 octahedra, and edges with nine NaO6 octahedra. The corner-sharing octahedra tilt angles range from 10–12°. There are two shorter (2.13 Å) and four longer (2.14 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Na1+ and two equivalent Sn4+ atoms to form a mixture of corner and edge-sharing ONa4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 6–12°. In the second O2- site, O2- is bonded to four Na1+ and two equivalent Sn4+ atoms to form a mixture of corner and edge-sharing ONa4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 5–9°.
DOI: 10.17188/1289604
title: Materials Data on NaTiS2 by Materials Project

description: NaTiS2 is Caswellsilverite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Na1+ is bonded to six S2- atoms to form distorted NaS6 pentagonal pyramids that share corners with nine equivalent TiS6 octahedra, edges with three equivalent TiS6 octahedra, edges with six equivalent NaS6 pentagonal pyramids, and a faceface with one TiS6 octahedra. The corner-sharing octahedra tilt angles range from 9–46°. There are three shorter (2.82 Å) and three longer (2.89 Å) Na–S bond lengths. Ti3+ is bonded to six S2- atoms to form TiS6 octahedra that share corners with nine equivalent NaS6 pentagonal pyramids, edges with six equivalent TiS6 octahedra, edges with three equivalent NaS6 pentagonal pyramids, and a faceface with one NaS6 pentagonal pyramid. All Ti–S bond lengths are 2.50 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Na1+ and three equivalent Ti3+ atoms to form edge-sharing SNa3Ti3 octahedra. In the second S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Na1+ and three equivalent Ti3+ atoms.
DOI: 10.17188/1289605
title: Materials Data on BaSrI4 by Materials Project

description: BaSrI4 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight I1- atoms. There are six shorter (3.61 Å) and two longer (3.63 Å) Ba–I bond lengths. Sr2+ is bonded in a body-centered cubic geometry to eight I1- atoms. There are two shorter (3.45 Å) and six longer (3.55 Å) Sr–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded to three equivalent Ba2+ and one Sr2+ atom to form a mixture of edge and corner-sharing IBa3Sr tetrahedra. In the second I1- site, I1- is bonded to one Ba2+ and three equivalent Sr2+ atoms to form a mixture of edge and corner-sharing IBaSr3 tetrahedra.
DOI: 10.17188/1289606
title: Materials Data on CaHfO3 by Materials Project

description: CaHfO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.35–2.84 Å. Hf4+ is bonded to six O2- atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. All Hf–O bond lengths are 2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and two equivalent Hf4+ atoms to form distorted corner-sharing OCa2Hf2 tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+ and two equivalent Hf4+ atoms.
DOI: 10.17188/1289607
title: Materials Data on CaAsH5O6 by Materials Project

description: CaAsH5O6 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form distorted CaO6 octahedra that share corners with two equivalent CaO6 octahedra, corners with two equivalent AsO4 tetrahedra, and an edgeedge with one AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of Ca–O bond distances ranging from 2.32–2.71 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent CaO6 octahedra and an edgeedge with one CaO6 octahedra. The corner-sharing octahedra tilt angles range from 64–76°. There are a spread of As–O bond distances ranging from 1.69–1.83 Å. There are five 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 0.99 Å. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.60 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted bent 150 degrees geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.53 Å) H–O bond length. 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. In the fifth H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.63 Å) H–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one As5+ and one H1+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, one As5+, and one H1+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+ and three H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Ca2+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+, one As5+, and one H1+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ca2+ and one As5+ atom.
DOI: 10.17188/1289609
title: Materials Data on Nb2Ge2O7 by Materials Project

description: Nb2Ge2O7 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Nb3+ sites. In the first Nb3+ site, Nb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.84–2.40 Å. In the second Nb3+ site, Nb3+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are a spread of Nb–O bond distances ranging from 1.91–2.18 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (1.88 Å) and two longer (2.26 Å) Ge–O bond lengths. In the second Ge4+ site, Ge4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 2.01–2.31 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Nb3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Nb3+ atoms. In the third O2- site, O2- is bonded in a distorted see-saw-like geometry to two Nb3+ and two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Nb3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to one Nb3+ and two equivalent Ge4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nb3+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Nb3+ and one Ge4+ atom.
DOI: 10.17188/1289610
title: Materials Data on Sr(IO3)2 by Materials Project

description: Sr(IO3)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Sr2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.56 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Sr2+ and one I5+ atom. The O–I bond length is 1.83 Å. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+ and one I5+ atom. The O–I bond length is 1.83 Å. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Sr2+ and one I5+ atom. The O–I bond length is 1.83 Å. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one I5+ atom. The O–I bond length is 1.83 Å. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one I5+ atom. The O–I bond length is 1.83 Å. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Sr2+ and one I5+ atom. The O–I bond length is 1.83 Å. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. In the second I5+ site, I5+ is bonded in a 3-coordinate geometry to three O2- atoms.
DOI: 10.17188/1289611
title: Materials Data on Li2RhO3 by Materials Project

description: Li2RhO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent RhO6 octahedra, edges with four equivalent RhO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 4–6°. There are two shorter (2.08 Å) and four longer (2.19 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent RhO6 octahedra, edges with four equivalent RhO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Li–O bond distances ranging from 2.12–2.17 Å. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 5–6°. There are two shorter (2.12 Å) and four longer (2.13 Å) Li–O bond lengths. Rh4+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six LiO6 octahedra, edges with three equivalent RhO6 octahedra, and edges with nine LiO6 octahedra. The corner-sharing octahedra tilt angles range from 4–5°. There are four shorter (2.03 Å) and two longer (2.04 Å) Rh–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Li1+ and two equivalent Rh4+ atoms to form a mixture of corner and edge-sharing OLi4Rh2 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the second O2- site, O2- is bonded to four Li1+ and two equivalent Rh4+ atoms to form a mixture of corner and edge-sharing OLi4Rh2 octahedra. The corner-sharing octahedra tilt angles range from 0–3°.
DOI: 10.17188/1289612
title: Materials Data on Na3BiAsCO7 by Materials Project

description: Na3CBiAsO7 crystallizes in the monoclinic P2_1/m 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 distorted NaO6 octahedra that share corners with two equivalent NaO6 octahedra, edges with six equivalent NaO7 pentagonal bipyramids, and an edgeedge with one AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Na–O bond distances ranging from 2.39–2.64 Å. In the second Na1+ site, Na1+ is bonded to seven O2- atoms to form distorted NaO7 pentagonal bipyramids that share corners with two equivalent NaO7 pentagonal bipyramids, corners with two equivalent AsO4 tetrahedra, edges with three equivalent NaO6 octahedra, an edgeedge with one NaO7 pentagonal bipyramid, an edgeedge with one AsO4 tetrahedra, and a faceface with one NaO7 pentagonal bipyramid. There are a spread of Na–O bond distances ranging from 2.36–2.88 Å. C3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.30 Å) and one longer (1.31 Å) C–O bond length. Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.23–3.01 Å. As5+ is bonded to four O2- atoms to form distorted AsO4 tetrahedra that share corners with four equivalent NaO7 pentagonal bipyramids, an edgeedge with one NaO6 octahedra, and edges with two equivalent NaO7 pentagonal bipyramids. There are a spread of As–O bond distances ranging from 1.78–2.11 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to four Na1+ and one C3+ atom to form distorted ONa4C trigonal bipyramids that share corners with two equivalent ONa4C trigonal bipyramids and an edgeedge with one ONa2BiAs tetrahedra. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+, one C3+, and one Bi3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+, one C3+, and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+, one Bi3+, and one As5+ atom. In the fifth O2- site, O2- is bonded to two equivalent Na1+, one Bi3+, and one As5+ atom to form distorted edge-sharing ONa2BiAs tetrahedra. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, two equivalent Bi3+, and one As5+ atom.