cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1201531
title: Materials Data on Na3(CuS)4 by Materials Project

description: Na3Cu4S4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six S2- atoms to form a mixture of distorted corner, edge, and face-sharing NaS6 octahedra. The corner-sharing octahedra tilt angles range from 39–57°. There are a spread of Na–S bond distances ranging from 2.84–3.10 Å. In the second Na1+ site, Na1+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing NaS6 octahedra. The corner-sharing octahedra tilt angles range from 39–45°. There are four shorter (2.89 Å) and two longer (3.02 Å) Na–S bond lengths. There are two inequivalent Cu+1.25+ sites. In the first Cu+1.25+ site, Cu+1.25+ is bonded in a trigonal planar geometry to three S2- atoms. There are two shorter (2.25 Å) and one longer (2.30 Å) Cu–S bond lengths. In the second Cu+1.25+ site, Cu+1.25+ is bonded in a distorted trigonal planar geometry to three S2- atoms. All Cu–S bond lengths are 2.31 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 8-coordinate geometry to five Na1+ and three Cu+1.25+ atoms. In the second S2- site, S2- is bonded in a 7-coordinate geometry to four Na1+ and three Cu+1.25+ atoms.
DOI: 10.17188/1201532
title: Materials Data on Nb2Te3O11 by Materials Project

description: Nb2Te3O11 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 10–13°. There are a spread of Nb–O bond distances ranging from 1.83–2.27 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (1.91 Å) and two longer (2.13 Å) Te–O bond lengths. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–1.92 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+ and one Te4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Nb5+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Nb5+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms.
DOI: 10.17188/1201534
title: Materials Data on Al8Mo3 by Materials Project

description: Al8Mo3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded to twelve Al atoms to form a mixture of distorted face and edge-sharing MoAl12 cuboctahedra. There are a spread of Mo–Al bond distances ranging from 2.64–3.00 Å. In the second Mo site, Mo is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Mo–Al bond distances ranging from 2.56–2.98 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four Mo and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.66–2.94 Å. In the second Al site, Al is bonded in a distorted rectangular see-saw-like geometry to four Mo and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.81–2.96 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to four Mo and eight Al atoms. There are two shorter (2.69 Å) and one longer (2.87 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 12-coordinate geometry to five equivalent Mo and seven Al atoms. There are one shorter (2.72 Å) and two longer (2.85 Å) Al–Al bond lengths.
DOI: 10.17188/1201535
title: Materials Data on La3(OsO5)2 by Materials Project

description: La3Os2O10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.60 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.72 Å. Os+5.50+ is bonded to six O2- atoms to form edge-sharing OsO6 octahedra. There are a spread of Os–O bond distances ranging from 1.93–2.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent La3+ and one Os+5.50+ atom. In the second O2- site, O2- is bonded to three La3+ and one Os+5.50+ atom to form a mixture of edge and corner-sharing OLa3Os tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Os+5.50+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two equivalent Os+5.50+ atoms.
DOI: 10.17188/1201536
title: Materials Data on K3GeTe3 by Materials Project

description: K3GeTe3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six Te2- atoms to form a mixture of distorted edge, face, and corner-sharing KTe6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of K–Te bond distances ranging from 3.53–3.93 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.59–3.79 Å. In the third K1+ site, K1+ is bonded to six Te2- atoms to form a mixture of distorted edge, face, and corner-sharing KTe6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 28–59°. There are a spread of K–Te bond distances ranging from 3.46–3.79 Å. In the fourth K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.53–3.69 Å. Ge3+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.61 Å) and two longer (2.63 Å) Ge–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to six K1+ and one Ge3+ atom. In the second Te2- site, Te2- is bonded to six K1+ and one Ge3+ atom to form a mixture of distorted edge, face, and corner-sharing TeK6Ge pentagonal bipyramids. In the third Te2- site, Te2- is bonded to six K1+ and one Ge3+ atom to form a mixture of distorted edge, face, and corner-sharing TeK6Ge pentagonal bipyramids.
DOI: 10.17188/1201537
title: Materials Data on Cs3MnBr5 by Materials Project

description: Cs3MnBr5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are two shorter (3.90 Å) and eight longer (4.11 Å) Cs–Br bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.63–3.87 Å. Mn2+ is bonded in a tetrahedral geometry to four equivalent Br1- atoms. All Mn–Br bond lengths are 2.49 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to five Cs1+ and one Mn2+ atom. In the second Br1- site, Br1- is bonded to six Cs1+ atoms to form corner-sharing BrCs6 octahedra. The corner-sharing octahedra tilt angles range from 0–38°.
DOI: 10.17188/1201538
title: Materials Data on Tl3CoCl5 by Materials Project

description: CoTl3Cl5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Co2+ is bonded in a tetrahedral geometry to four equivalent Cl1- atoms. All Co–Cl bond lengths are 2.25 Å. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a distorted q6 geometry to ten Cl1- atoms. There are eight shorter (3.56 Å) and two longer (3.64 Å) Tl–Cl bond lengths. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.21–3.51 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to six Tl1+ atoms to form corner-sharing ClTl6 octahedra. The corner-sharing octahedra tilt angles range from 0–38°. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Co2+ and five Tl1+ atoms.
DOI: 10.17188/1201539
title: Materials Data on Tl3FeCl5 by Materials Project

description: FeTl3Cl5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Fe2+ is bonded in a tetrahedral geometry to four equivalent Cl1- atoms. All Fe–Cl bond lengths are 2.29 Å. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are eight shorter (3.55 Å) and two longer (3.73 Å) Tl–Cl bond lengths. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.19–3.54 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to six Tl1+ atoms to form corner-sharing ClTl6 octahedra. The corner-sharing octahedra tilt angles range from 0–38°. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Fe2+ and five Tl1+ atoms.
DOI: 10.17188/1201540
title: Materials Data on NaAlSi by Materials Project

description: NaAlSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are one shorter (3.13 Å) and four longer (3.14 Å) Na–Si bond lengths. Al3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing AlSi4 tetrahedra. All Al–Si bond lengths are 2.57 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Al3+ atoms.
DOI: 10.17188/1201541
title: Materials Data on CsCuBr3 by Materials Project

description: CsCuBr3 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.63–4.34 Å. In the second Cs1+ site, Cs1+ is bonded to twelve Br1- atoms to form distorted CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra and faces with eight equivalent CuBr6 octahedra. There are a spread of Cs–Br bond distances ranging from 3.80–4.03 Å. Cu2+ is bonded to six Br1- atoms to form distorted CuBr6 octahedra that share corners with three equivalent CuBr6 octahedra, faces with four equivalent CsBr12 cuboctahedra, and a faceface with one CuBr6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Cu–Br bond distances ranging from 2.37–3.29 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to four Cs1+ and two equivalent Cu2+ atoms. In the second Br1- site, Br1- is bonded in a distorted linear geometry to four Cs1+ and two equivalent Cu2+ atoms. In the third Br1- site, Br1- is bonded in a distorted L-shaped geometry to four Cs1+ and two equivalent Cu2+ atoms. In the fourth Br1- site, Br1- is bonded in a 1-coordinate geometry to four Cs1+ and two equivalent Cu2+ atoms.
DOI: 10.17188/1201542
title: Materials Data on Xe(OF)2 by Materials Project

description: Xe(OF)2 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of four Xe(OF)2 clusters. Xe is bonded in a see-saw-like geometry to two equivalent O and two equivalent F atoms. Both Xe–O bond lengths are 1.86 Å. Both Xe–F bond lengths are 2.05 Å. O is bonded in a single-bond geometry to one Xe atom. F is bonded in a single-bond geometry to one Xe atom.
DOI: 10.17188/1201543
title: Materials Data on Sb2(SO4)3 by Materials Project

description: Sb2(SO4)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sb–O bond distances ranging from 2.08–2.77 Å. In the second Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 2.05–2.64 Å. There are three inequivalent S6+ sites. In the first S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.51 Å. In the second S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.54 Å. In the third S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.54 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sb3+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sb3+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Sb3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Sb3+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb3+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Sb3+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb3+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sb3+ and one S6+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sb3+ and one S6+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb3+ and one S6+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Sb3+ and one S6+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one Sb3+ and one S6+ atom.
DOI: 10.17188/1201559
title: Materials Data on ReCl4 by Materials Project

description: ReCl4 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two ReCl4 ribbons oriented in the (1, 0, 0) direction. Re4+ is bonded to six Cl1- atoms to form a mixture of face and corner-sharing ReCl6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Re–Cl bond distances ranging from 2.28–2.46 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent Re4+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Re4+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Re4+ atoms. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom.
DOI: 10.17188/1201560
title: Materials Data on BH4N by Materials Project

description: BNH4 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pbcm space group. The structure is zero-dimensional and consists of four BNH4 clusters. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to two equivalent N3- and two H atoms to form corner-sharing BH2N2 tetrahedra. Both B–N bond lengths are 1.58 Å. Both B–H bond lengths are 1.22 Å. In the second B3+ site, B3+ is bonded to two N3- and two H atoms to form corner-sharing BH2N2 tetrahedra. Both B–N bond lengths are 1.58 Å. Both B–H bond lengths are 1.22 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent B3+ and two H atoms to form corner-sharing NB2H2 tetrahedra. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded to two B3+ and two H atoms to form distorted corner-sharing NB2H2 tetrahedra. Both N–H bond lengths are 1.03 Å. There are eight inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one B3+ atom. In the second H site, H is bonded in a single-bond geometry to one B3+ atom. In the third H site, H is bonded in a single-bond geometry to one N3- atom. In the fourth H site, H is bonded in a single-bond geometry to one B3+ atom. In the fifth H site, H is bonded in a single-bond geometry to one N3- atom. In the sixth H site, H is bonded in a single-bond geometry to one N3- atom. In the seventh H site, H is bonded in a single-bond geometry to one B3+ atom. In the eighth H site, H is bonded in a single-bond geometry to one N3- atom.
DOI: 10.17188/1201561
title: Materials Data on Ge5F12 by Materials Project

description: Ge5F12 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Ge+2.40+ sites. In the first Ge+2.40+ site, Ge+2.40+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Ge–F bond distances ranging from 1.87–2.45 Å. In the second Ge+2.40+ site, Ge+2.40+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Ge–F bond distances ranging from 1.79–1.88 Å. In the third Ge+2.40+ site, Ge+2.40+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Ge–F bond distances ranging from 1.84–2.35 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two Ge+2.40+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Ge+2.40+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two Ge+2.40+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ge+2.40+ atoms. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Ge+2.40+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ge+2.40+ atoms.
DOI: 10.17188/1201562
title: Materials Data on Re4Cl8O9 by Materials Project

description: Re2(OCl2)3(ReO3Cl)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one Re2(OCl2)3 cluster and two ReO3Cl clusters. In the Re2(OCl2)3 cluster, Re+6.50+ is bonded in a 2-coordinate geometry to two O2- and three Cl1- atoms. There is one shorter (1.69 Å) and one longer (1.87 Å) Re–O bond length. There are two shorter (2.31 Å) and one longer (2.32 Å) Re–Cl bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Re+6.50+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In each ReO3Cl cluster, Re+6.50+ is bonded in a tetrahedral geometry to three O2- and one Cl1- atom. There is two shorter (1.72 Å) and one longer (1.74 Å) Re–O bond length. The Re–Cl bond length is 2.22 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom.
DOI: 10.17188/1201563
title: Materials Data on Be(BH4)2 by Materials Project

description: Be(BH4)2 crystallizes in the tetragonal I4_1cd space group. The structure is one-dimensional and consists of four Be(BH4)2 ribbons oriented in the (0, 0, 1) direction. Be2+ is bonded in a 6-coordinate geometry to six H+0.50+ atoms. There are a spread of Be–H bond distances ranging from 1.55–1.69 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a tetrahedral geometry to four H+0.50+ atoms. All B–H bond lengths are 1.23 Å. In the second B3- site, B3- is bonded in a tetrahedral geometry to four H+0.50+ atoms. There is two shorter (1.20 Å) and two longer (1.26 Å) B–H bond length. There are eight inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in an L-shaped geometry to one Be2+ and one B3- atom. In the second H+0.50+ site, H+0.50+ is bonded in an L-shaped geometry to one Be2+ and one B3- atom. In the third H+0.50+ site, H+0.50+ is bonded in an L-shaped geometry to one Be2+ and one B3- atom. In the fourth H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one B3- atom. In the fifth H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one B3- atom. In the sixth H+0.50+ site, H+0.50+ is bonded in an L-shaped geometry to one Be2+ and one B3- atom. In the seventh H+0.50+ site, H+0.50+ is bonded in an L-shaped geometry to one Be2+ and one B3- atom. In the eighth H+0.50+ site, H+0.50+ is bonded in an L-shaped geometry to one Be2+ and one B3- atom.
DOI: 10.17188/1201564
title: Materials Data on Na3BiO4 by Materials Project

description: Na3BiO4 is Caswellsilverite-like structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six NaO6 octahedra, edges with four equivalent BiO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 12–16°. There are a spread of Na–O bond distances ranging from 2.40–2.50 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 BiO6 octahedra, edges with two equivalent BiO6 octahedra, and edges with ten NaO6 octahedra. The corner-sharing octahedra tilt angles range from 5–16°. There are a spread of Na–O bond distances ranging from 2.34–2.71 Å. In the third Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent BiO6 octahedra, corners with four equivalent NaO6 octahedra, edges with four equivalent BiO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 12–14°. There are a spread of Na–O bond distances ranging from 2.35–2.61 Å. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with six NaO6 octahedra, edges with two equivalent BiO6 octahedra, and edges with ten NaO6 octahedra. The corner-sharing octahedra tilt angles range from 5–12°. There are a spread of Bi–O bond distances ranging from 2.10–2.24 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one Bi5+ atom to form a mixture of edge and corner-sharing ONa5Bi octahedra. The corner-sharing octahedra tilt angles range from 7–16°. In the second O2- site, O2- is bonded to four Na1+ and two equivalent Bi5+ atoms to form a mixture of distorted edge and corner-sharing ONa4Bi2 octahedra. The corner-sharing octahedra tilt angles range from 7–12°.