cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1192278
title: Materials Data on Li3GaSiO5 by Materials Project

description: Li3GaSiO5 is Stannite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent GaO4 tetrahedra, corners with three equivalent SiO4 tetrahedra, and corners with six LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.08 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share a cornercorner with one GaO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and corners with seven LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.98–2.09 Å. In the third Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent SiO4 tetrahedra, corners with four equivalent GaO4 tetrahedra, and corners with five LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.93–2.09 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent GaO4 tetrahedra, corners with two equivalent SiO4 tetrahedra, and corners with eight LiO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.85–1.89 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent GaO4 tetrahedra and corners with ten LiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.70 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Ga3+, and one Si4+ atom to form corner-sharing OLi2GaSi tetrahedra. In the second O2- site, O2- is bonded to two Li1+ and two equivalent Ga3+ atoms to form corner-sharing OLi2Ga2 tetrahedra. In the third O2- site, O2- is bonded to two Li1+, one Ga3+, and one Si4+ atom to form corner-sharing OLi2GaSi tetrahedra. In the fourth O2- site, O2- is bonded to three Li1+ and one Si4+ atom to form corner-sharing OLi3Si tetrahedra. In the fifth O2- site, O2- is bonded to three Li1+ and one Si4+ atom to form distorted corner-sharing OLi3Si tetrahedra.
DOI: 10.17188/1192279
title: Materials Data on Ba2Nb6Te2O21 by Materials Project

description: Ba2Nb6Te2O21 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.84–3.23 Å. There are three inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 8–14°. There are a spread of Nb–O bond distances ranging from 1.88–2.25 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 9–14°. There are a spread of Nb–O bond distances ranging from 1.86–2.23 Å. In the third Nb5+ site, Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are a spread of Nb–O bond distances ranging from 1.95–2.08 Å. Te4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.90 Å) and two longer (1.91 Å) Te–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Nb5+, and one Te4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Nb5+, and one Te4+ atom. In the third O2- site, O2- is bonded in a linear geometry to two Nb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one Ba2+ and two Nb5+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to one Ba2+ and two Nb5+ atoms. In the seventh O2- site, O2- is bonded in a linear geometry to two Nb5+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+ and two equivalent Nb5+ atoms.
DOI: 10.17188/1192280
title: Materials Data on Cr by Materials Project

description: Cr crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded to twelve equivalent Cr atoms to form a mixture of edge and face-sharing CrCr12 cuboctahedra. All Cr–Cr bond lengths are 2.54 Å. In the second Cr site, Cr is bonded in a 2-coordinate geometry to fourteen Cr atoms. There are two shorter (2.27 Å) and eight longer (2.78 Å) Cr–Cr bond lengths.
DOI: 10.17188/1192281
title: Materials Data on HoCd by Materials Project

description: HoCd is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Ho–Cd bond lengths are 3.23 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.17188/1192282
title: Materials Data on AlN by Materials Project

description: AlN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Al3+ is bonded to four equivalent N3- atoms to form corner-sharing AlN4 tetrahedra. All Al–N bond lengths are 1.91 Å. N3- is bonded to four equivalent Al3+ atoms to form corner-sharing NAl4 tetrahedra.
DOI: 10.17188/1192283
title: Materials Data on UOF4 by Materials Project

description: UOF4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. U6+ is bonded to one O2- and six F1- atoms to form distorted corner-sharing UOF6 pentagonal bipyramids. The U–O bond length is 1.82 Å. There are a spread of U–F bond distances ranging from 2.03–2.51 Å. O2- is bonded in a single-bond geometry to one U6+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent U6+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one U6+ atom.
DOI: 10.17188/1192284
title: Materials Data on CaTeO3 by Materials Project

description: CaTeO3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.24–2.55 Å. In the second Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.39–2.74 Å. In the third Ca2+ site, Ca2+ is bonded to seven O2- atoms to form distorted edge-sharing CaO7 pentagonal bipyramids. There are a spread of Ca–O bond distances ranging from 2.32–2.63 Å. There are three inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.67 Å. In the second Te4+ site, Te4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.88 Å) and one longer (1.89 Å) Te–O bond length. In the third Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.89 Å) and two longer (1.90 Å) Te–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Ca2+ and one Te4+ atom. In the second O2- site, O2- is bonded to three Ca2+ and one Te4+ atom to form distorted corner-sharing OCa3Te tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ca2+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Ca2+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one Te4+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca2+ and one Te4+ atom. In the eighth O2- site, O2- is bonded to three Ca2+ and one Te4+ atom to form distorted corner-sharing OCa3Te trigonal pyramids. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to three Ca2+ and one Te4+ atom.
DOI: 10.17188/1192285
title: Materials Data on Ba3Te2O9 by Materials Project

description: Ba3Te2O9 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 12-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.82 Å) and six longer (3.01 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with six equivalent BaO12 cuboctahedra and faces with six equivalent TeO6 octahedra. There are six shorter (2.90 Å) and six longer (2.99 Å) Ba–O bond lengths. Te6+ is bonded to six O2- atoms to form distorted TeO6 octahedra that share faces with three equivalent BaO12 cuboctahedra and a faceface with one TeO6 octahedra. There is three shorter (1.89 Å) and three longer (2.08 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four Ba2+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent Ba2+ and two equivalent Te6+ atoms.
DOI: 10.17188/1192286
title: Materials Data on Sr2VN3 by Materials Project

description: Sr2VN3 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 N3- atoms. There are a spread of Sr–N bond distances ranging from 2.66–3.08 Å. In the second Sr2+ site, Sr2+ is bonded to seven N3- atoms to form distorted SrN7 pentagonal bipyramids that share corners with four equivalent SrN7 pentagonal bipyramids, a cornercorner with one VN4 tetrahedra, edges with three equivalent SrN7 pentagonal bipyramids, and edges with four equivalent VN4 tetrahedra. There are a spread of Sr–N bond distances ranging from 2.63–3.02 Å. V5+ is bonded to four N3- atoms to form VN4 tetrahedra that share a cornercorner with one SrN7 pentagonal bipyramid, corners with two equivalent VN4 tetrahedra, and edges with four equivalent SrN7 pentagonal bipyramids. There are a spread of V–N bond distances ranging from 1.78–1.85 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to five Sr2+ and one V5+ atom. In the second N3- site, N3- is bonded in a 2-coordinate geometry to four Sr2+ and two equivalent V5+ atoms. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent V5+ atoms. In the fourth N3- site, N3- is bonded in a 6-coordinate geometry to five Sr2+ and one V5+ atom.
DOI: 10.17188/1192287
title: Materials Data on Ta5Ge3 by Materials Project

description: Ta5Ge3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Ta–Ge bond distances ranging from 2.65–2.94 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to six equivalent Ge atoms. All Ta–Ge bond lengths are 2.70 Å. Ge is bonded in a 9-coordinate geometry to nine Ta atoms.
DOI: 10.17188/1192288
title: Materials Data on K4GeO4 by Materials Project

description: K4GeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first 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 2.71–2.91 Å. In the second 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 2.62–3.10 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.35 Å. In the fourth K1+ site, K1+ is bonded to four O2- atoms to form distorted KO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra and an edgeedge with one KO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.61–2.67 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent KO4 tetrahedra. There is three shorter (1.80 Å) and one longer (1.81 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Ge4+ atom. In the second O2- site, O2- is bonded to five K1+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing OK5Ge octahedra. The corner-sharing octahedra tilt angles range from 44–46°. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Ge4+ atom.
DOI: 10.17188/1192290
title: Materials Data on LaRh2 by Materials Project

description: LaRh2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to twelve equivalent Rh atoms. All La–Rh bond lengths are 3.20 Å. Rh is bonded to six equivalent La and six equivalent Rh atoms to form a mixture of edge, face, and corner-sharing RhLa6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.73 Å.
DOI: 10.17188/1192291
title: Materials Data on TiTl2(GeO3)3 by Materials Project

description: TiTl2(GeO3)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Ti–O bond lengths are 1.98 Å. Tl1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tl–O bond distances ranging from 2.90–3.27 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent TiO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of Ge–O bond distances ranging from 1.74–1.81 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ti4+, two equivalent Tl1+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Tl1+ and two equivalent Ge4+ atoms.
DOI: 10.17188/1192292
title: Materials Data on UNi2 by Materials Project

description: UNi2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of U–Ni bond distances ranging from 2.88–2.94 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to six equivalent U and six equivalent Ni atoms to form a mixture of face, edge, and corner-sharing NiU6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.50 Å. In the second Ni site, Ni is bonded to six equivalent U and six Ni atoms to form a mixture of face, edge, and corner-sharing NiU6Ni6 cuboctahedra. There are two shorter (2.45 Å) and two longer (2.48 Å) Ni–Ni bond lengths.
DOI: 10.17188/1192293
title: Materials Data on Ba2NbN3 by Materials Project

description: Ba2NbN3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Ba–N bond distances ranging from 2.78–3.21 Å. In the second Ba2+ site, Ba2+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Ba–N bond distances ranging from 2.82–3.38 Å. Nb5+ is bonded to four N3- atoms to form corner-sharing NbN4 tetrahedra. There are a spread of Nb–N bond distances ranging from 1.93–2.02 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to five Ba2+ and one Nb5+ atom. In the second N3- site, N3- is bonded in a distorted linear geometry to four Ba2+ and two equivalent Nb5+ atoms. In the third N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent Nb5+ atoms. In the fourth N3- site, N3- is bonded in a 1-coordinate geometry to four Ba2+ and one Nb5+ atom.
DOI: 10.17188/1192294
title: Materials Data on Sr3Y(BO3)3 by Materials Project

description: Sr3Y(BO3)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–3.04 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Y–O bond lengths are 2.25 Å. In the second Y3+ site, Y3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Y–O bond lengths are 2.32 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.38–1.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+ and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Sr2+, one Y3+, and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Y3+, and one B3+ atom.
DOI: 10.17188/1192295
title: Materials Data on YbZn by Materials Project

description: YbZn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Yb–Zn bond lengths are 3.13 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1192296
title: Materials Data on RbMo6Se7 by Materials Project

description: RbMo6Se7 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.62–3.91 Å. There are two inequivalent Mo+2.17+ sites. In the first Mo+2.17+ site, Mo+2.17+ is bonded in a see-saw-like geometry to four Se2- atoms. There are a spread of Mo–Se bond distances ranging from 2.59–2.72 Å. In the second Mo+2.17+ site, Mo+2.17+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.70 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to one Rb1+ and four Mo+2.17+ atoms. In the second Se2- site, Se2- is bonded in a 7-coordinate geometry to one Rb1+ and three equivalent Mo+2.17+ atoms. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent Rb1+ and four Mo+2.17+ atoms.
DOI: 10.17188/1192297
title: Materials Data on KAlP2O7 by Materials Project

description: KAlP2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.32 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.87–1.94 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 corners with three equivalent AlO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 14–47°. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent AlO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–51°. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one K1+ and two P5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Al3+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+, one Al3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Al3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+, one Al3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted linear geometry to one K1+, one Al3+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to one K1+, one Al3+, and one P5+ atom.
DOI: 10.17188/1192298
title: Materials Data on CsAlPdF6 by Materials Project

description: CsPdAlF6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Cs–F bond distances ranging from 3.02–3.64 Å. Pd2+ is bonded to six F1- atoms to form PdF6 octahedra that share corners with two equivalent PdF6 octahedra and corners with four equivalent AlF6 octahedra. The corner-sharing octahedra tilt angles range from 48–58°. There are two shorter (2.18 Å) and four longer (2.23 Å) Pd–F bond lengths. Al3+ is bonded to six F1- atoms to form AlF6 octahedra that share corners with two equivalent AlF6 octahedra and corners with four equivalent PdF6 octahedra. The corner-sharing octahedra tilt angles range from 16–48°. There is four shorter (1.82 Å) and two longer (1.84 Å) Al–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Cs1+, one Pd2+, and one Al3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Cs1+, one Pd2+, and one Al3+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Cs1+ and two equivalent Pd2+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to one Cs1+ and two equivalent Al3+ atoms.