cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1196974
title: Materials Data on Na2ScCuF7 by Materials Project

description: Na2ScCuF7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six F1- atoms to form distorted NaF6 octahedra that share corners with two equivalent NaF7 hexagonal pyramids, corners with two equivalent ScF6 octahedra, corners with two equivalent CuF6 octahedra, edges with two equivalent NaF7 hexagonal pyramids, edges with two equivalent NaF6 octahedra, and edges with two equivalent ScF6 octahedra. The corner-sharing octahedra tilt angles range from 61–68°. There are a spread of Na–F bond distances ranging from 2.40–2.62 Å. In the second Na1+ site, Na1+ is bonded to seven F1- atoms to form NaF7 hexagonal pyramids that share corners with two equivalent NaF6 octahedra, corners with two equivalent ScF6 octahedra, corners with two equivalent CuF6 octahedra, edges with two equivalent NaF6 octahedra, edges with two equivalent ScF6 octahedra, and edges with two equivalent CuF6 octahedra. The corner-sharing octahedra tilt angles range from 52–71°. There are a spread of Na–F bond distances ranging from 2.29–2.57 Å. Sc3+ is bonded to six F1- atoms to form ScF6 octahedra that share corners with two equivalent NaF7 hexagonal pyramids, corners with two equivalent NaF6 octahedra, corners with four equivalent CuF6 octahedra, edges with two equivalent NaF7 hexagonal pyramids, and edges with two equivalent NaF6 octahedra. The corner-sharing octahedra tilt angles range from 35–61°. There are a spread of Sc–F bond distances ranging from 2.02–2.08 Å. Cu2+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with two equivalent NaF7 hexagonal pyramids, corners with two equivalent NaF6 octahedra, corners with two equivalent CuF6 octahedra, corners with four equivalent ScF6 octahedra, and edges with two equivalent NaF7 hexagonal pyramids. The corner-sharing octahedra tilt angles range from 35–68°. There are a spread of Cu–F bond distances ranging from 1.93–2.25 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent Cu2+ atoms. In the second F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three Na1+ and one Sc3+ atom. In the third F1- site, F1- is bonded to three Na1+ and one Sc3+ atom to form FNa3Sc tetrahedra that share corners with six FNa3Sc tetrahedra and edges with two equivalent FNa2ScCu tetrahedra. In the fourth F1- site, F1- is bonded to two Na1+, one Sc3+, and one Cu2+ atom to form a mixture of distorted edge and corner-sharing FNa2ScCu tetrahedra. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+, one Sc3+, and one Cu2+ atom.
DOI: 10.17188/1196975
title: Materials Data on La3(GaNi)2 by Materials Project

description: La3Ni2Ga2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 9-coordinate geometry to four equivalent Ni and five Ga atoms. All La–Ni bond lengths are 3.20 Å. There are a spread of La–Ga bond distances ranging from 3.07–3.30 Å. In the second La site, La is bonded in a 4-coordinate geometry to four equivalent Ni and five Ga atoms. There are a spread of La–Ni bond distances ranging from 2.82–3.35 Å. There are a spread of La–Ga bond distances ranging from 3.19–3.43 Å. Ni is bonded in a 10-coordinate geometry to six La, one Ni, and three Ga atoms. The Ni–Ni bond length is 2.70 Å. There are a spread of Ni–Ga bond distances ranging from 2.54–2.64 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to seven La and two equivalent Ni atoms. In the second Ga site, Ga is bonded to eight La and four equivalent Ni atoms to form a mixture of distorted corner, edge, and face-sharing GaLa8Ni4 cuboctahedra.
DOI: 10.17188/1196976
title: Materials Data on U2Mn3Si5 by Materials Project

description: U2Mn3Si5 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. U3+ is bonded in a 9-coordinate geometry to nine Si+2.40- atoms. There are a spread of U–Si bond distances ranging from 2.80–3.03 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six Si+2.40- atoms. There are a spread of Mn–Si bond distances ranging from 2.35–2.39 Å. In the second Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six Si+2.40- atoms. There are four shorter (2.35 Å) and two longer (2.66 Å) Mn–Si bond lengths. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to four equivalent U3+, three Mn2+, and four Si+2.40- atoms. There are two shorter (2.48 Å) and two longer (2.70 Å) Si–Si bond lengths. In the second Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to three equivalent U3+, four Mn2+, and two equivalent Si+2.40- atoms. In the third Si+2.40- site, Si+2.40- is bonded in a 10-coordinate geometry to four equivalent U3+ and four equivalent Mn2+ atoms.
DOI: 10.17188/1196977
title: Materials Data on La2Ge2O7 by Materials Project

description: La2Ge2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first 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 2.44–2.84 Å. In the second La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.53 Å. In the third 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 2.39–2.87 Å. In the fourth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.59 Å. There are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.75–1.83 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.73–1.81 Å. In the third Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.75–1.87 Å. In the fourth Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.75–1.81 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Ge4+ atom. In the second O2- site, O2- is bonded to three La3+ and one Ge4+ atom to form distorted edge-sharing OLa3Ge tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one Ge4+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one Ge4+ atom. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one Ge4+ atom. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to one La3+ and two Ge4+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two La3+ and one Ge4+ atom. In the fourteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Ge4+ atom.
DOI: 10.17188/1196978
title: Materials Data on CuP2PbO7 by Materials Project

description: PbCuP2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu2+ is bonded to five O2- atoms to form distorted CuO5 trigonal bipyramids that share corners with five PO4 tetrahedra. There are a spread of Cu–O bond distances ranging from 1.96–2.42 Å. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.52–2.94 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one PO4 tetrahedra and corners with two equivalent CuO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.53–1.61 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one PO4 tetrahedra and corners with three equivalent CuO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.52–1.63 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+, one Pb2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cu2+, one Pb2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+, one Pb2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Cu2+, two equivalent Pb2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cu2+, one Pb2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms.
DOI: 10.17188/1196979
title: Materials Data on Ni2Mo4C by Materials Project

description: Mo4Ni2C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 2-coordinate geometry to four equivalent Ni and two equivalent C atoms. There are two shorter (2.69 Å) and two longer (2.89 Å) Mo–Ni bond lengths. Both Mo–C bond lengths are 2.13 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six equivalent Ni atoms. All Mo–Ni bond lengths are 2.45 Å. Ni is bonded in a 12-coordinate geometry to nine Mo and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.65 Å. C is bonded to six equivalent Mo atoms to form corner-sharing CMo6 octahedra. The corner-sharing octahedral tilt angles are 40°.
DOI: 10.17188/1196980
title: Materials Data on Ce(In2Au)2 by Materials Project

description: Ce(AuIn2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to six Au and ten In atoms. There are a spread of Ce–Au bond distances ranging from 3.46–3.95 Å. There are a spread of Ce–In bond distances ranging from 3.33–3.74 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Ce and seven In atoms. There are a spread of Au–In bond distances ranging from 2.82–3.05 Å. In the second Au site, Au is bonded in a 7-coordinate geometry to three equivalent Ce and seven In atoms. There are a spread of Au–In bond distances ranging from 2.84–2.91 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Au atoms. In the second In site, In is bonded in a 4-coordinate geometry to three equivalent Ce and four Au atoms. In the third In site, In is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Au atoms. In the fourth In site, In is bonded to one Ce and four Au atoms to form a mixture of distorted edge and corner-sharing InCeAu4 tetrahedra.
DOI: 10.17188/1196981
title: Materials Data on Ba5Ge3 by Materials Project

description: Ba5Ge3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to five Ge atoms to form a mixture of distorted edge, corner, and face-sharing BaGe5 trigonal bipyramids. There are a spread of Ba–Ge bond distances ranging from 3.44–3.70 Å. In the second Ba site, Ba is bonded to five Ge atoms to form a mixture of distorted edge, corner, and face-sharing BaGe5 square pyramids. There are four shorter (3.53 Å) and one longer (3.56 Å) Ba–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Ba and one Ge atom. The Ge–Ge bond length is 2.62 Å. In the second Ge site, Ge is bonded in a distorted q6 geometry to nine Ba atoms.
DOI: 10.17188/1196982
title: Materials Data on CeP by Materials Project

description: CeP is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce3+ is bonded to six equivalent P3- atoms to form a mixture of corner and edge-sharing CeP6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–P bond lengths are 2.90 Å. P3- is bonded to six equivalent Ce3+ atoms to form a mixture of corner and edge-sharing PCe6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196984
title: Materials Data on K2CeTa5O15 by Materials Project

description: K2CeTa5O15 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.86–3.25 Å. Ce3+ is bonded to twelve O2- atoms to form CeO12 cuboctahedra that share faces with two equivalent CeO12 cuboctahedra and faces with eight equivalent TaO6 octahedra. There are four shorter (2.64 Å) and eight longer (2.71 Å) Ce–O bond lengths. 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 six TaO6 octahedra and faces with two equivalent CeO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 11–36°. There are a spread of Ta–O bond distances ranging from 1.92–2.06 Å. In the second Ta5+ site, Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–32°. There is two shorter (1.98 Å) and four longer (2.00 Å) Ta–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent K1+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Ce3+, and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+ and two Ta5+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ce3+ and two equivalent Ta5+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1196985
title: Materials Data on K2CeNb5O15 by Materials Project

description: K2CeNb5O15 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.86–3.25 Å. Ce3+ is bonded to twelve O2- atoms to form CeO12 cuboctahedra that share faces with two equivalent CeO12 cuboctahedra and faces with eight equivalent NbO6 octahedra. There are four shorter (2.62 Å) and eight longer (2.71 Å) Ce–O bond lengths. There are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six NbO6 octahedra and faces with two equivalent CeO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 12–36°. There are a spread of Nb–O bond distances ranging from 1.92–2.08 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 0–32°. There are two shorter (1.99 Å) and four longer (2.02 Å) Nb–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent K1+ and two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ce3+ and two equivalent Nb5+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Ce3+, and two equivalent Nb5+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+ and two Nb5+ atoms.
DOI: 10.17188/1196987
title: Materials Data on Er(SiNi5)2 by Materials Project

description: ErNi10Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to sixteen Ni and four equivalent Si atoms. There are a spread of Er–Ni bond distances ranging from 2.87–3.06 Å. All Er–Si bond lengths are 3.16 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Er, eight Ni, and two equivalent Si atoms to form NiEr2Si2Ni8 cuboctahedra that share corners with six equivalent SiEr2Ni10 cuboctahedra, corners with twelve NiEr2Si2Ni8 cuboctahedra, edges with four equivalent NiEr2Si2Ni8 cuboctahedra, edges with four equivalent SiEr2Ni10 cuboctahedra, faces with two equivalent SiEr2Ni10 cuboctahedra, and faces with twelve NiEr2Si2Ni8 cuboctahedra. There are four shorter (2.41 Å) and four longer (2.47 Å) Ni–Ni bond lengths. Both Ni–Si bond lengths are 2.33 Å. In the second Ni site, Ni is bonded to two equivalent Er, eight Ni, and two equivalent Si atoms to form distorted NiEr2Si2Ni8 cuboctahedra that share corners with four equivalent SiEr2Ni10 cuboctahedra, corners with fourteen NiEr2Si2Ni8 cuboctahedra, edges with two equivalent SiEr2Ni10 cuboctahedra, edges with five NiEr2Si2Ni8 cuboctahedra, faces with four equivalent SiEr2Ni10 cuboctahedra, and faces with eleven NiEr2Si2Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.52–2.60 Å. Both Ni–Si bond lengths are 2.31 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to one Er, eleven Ni, and two equivalent Si atoms. There are a spread of Ni–Ni bond distances ranging from 2.40–2.97 Å. Both Ni–Si bond lengths are 2.51 Å. Si is bonded to two equivalent Er and ten Ni atoms to form distorted SiEr2Ni10 cuboctahedra that share corners with four equivalent SiEr2Ni10 cuboctahedra, corners with fourteen NiEr2Si2Ni8 cuboctahedra, edges with eight NiEr2Si2Ni8 cuboctahedra, faces with four equivalent SiEr2Ni10 cuboctahedra, and faces with ten NiEr2Si2Ni8 cuboctahedra.
DOI: 10.17188/1196988
title: Materials Data on In2(Ni7B2)3 by Materials Project

description: In2(Ni7B2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded to one In and three equivalent B atoms to form a mixture of distorted corner and edge-sharing NiInB3 tetrahedra. The Ni–In bond length is 2.50 Å. All Ni–B bond lengths are 2.08 Å. In the second Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Ni and two equivalent B atoms. The Ni–Ni bond length is 2.51 Å. Both Ni–B bond lengths are 2.09 Å. In the third Ni site, Ni is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. In is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. B is bonded in a 8-coordinate geometry to eight Ni atoms.
DOI: 10.25919/cm4h-xd75
title: North-West Shelf ROMS ocean model - his files (2011)

description: Hourly output of the NWS ROMS ocean model. Used to study circulation and marine heatwave developement in the Pilbara region.
DOI: 10.17188/1196989
title: Materials Data on Na2GaCuF7 by Materials Project

description: Na2CuGaF7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.32–2.88 Å. In the second Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.49–2.81 Å. In the third Na1+ site, Na1+ is bonded to eight F1- atoms to form distorted NaF8 hexagonal bipyramids that share corners with two equivalent GaF6 octahedra, edges with two equivalent GaF6 octahedra, and edges with four CuF6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Na–F bond distances ranging from 2.18–2.84 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with two equivalent CuF6 octahedra, corners with four GaF6 octahedra, and edges with two equivalent NaF8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 42–48°. There are a spread of Cu–F bond distances ranging from 1.96–2.21 Å. In the second Cu2+ site, Cu2+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with two equivalent CuF6 octahedra, corners with four GaF6 octahedra, and edges with two equivalent NaF8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 39–48°. There are a spread of Cu–F bond distances ranging from 1.95–2.16 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six F1- atoms to form GaF6 octahedra that share corners with two equivalent NaF8 hexagonal bipyramids and corners with four CuF6 octahedra. The corner-sharing octahedra tilt angles range from 39–48°. There is four shorter (1.92 Å) and two longer (1.95 Å) Ga–F bond length. In the second Ga3+ site, Ga3+ is bonded to six F1- atoms to form GaF6 octahedra that share corners with four CuF6 octahedra and edges with two equivalent NaF8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 42–48°. There is two shorter (1.89 Å) and four longer (1.95 Å) Ga–F bond length. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two Na1+, one Cu2+, and one Ga3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two Na1+ and two Cu2+ atoms. In the third F1- site, F1- is bonded to three Na1+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing FNa3Ga tetrahedra. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Cu2+, and one Ga3+ atom. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to two Na1+, one Cu2+, and one Ga3+ atom. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to two Na1+, one Cu2+, and one Ga3+ atom. In the seventh F1- site, F1- is bonded to three Na1+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing FNa3Ga tetrahedra.