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CsO4Br crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve equivalent O atoms. There are four shorter (3.26 Å) and eight longer (3.46 Å) Cs–O bond lengths. O is bonded in a distorted single-bond geometry to three equivalent Cs and one Br atom. The O–Br bond length is 1.65 Å. Br is bonded in a tetrahedral geometry to four equivalent O atoms.
CsHgCl3 crystallizes in the trigonal P3_2 space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.62–4.21 Å. In the second Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.71–4.26 Å. In the third Cs1+ site, Cs1+ is bonded in a 11-coordinate geometry to eleven Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.77–4.10 Å. There are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to six Cl1- atoms to form distorted corner-sharing HgCl6 octahedra. The corner-sharing octahedra tilt angles range from 3–20°. There are a spread of Hg–Cl bond distances ranging from 2.41–3.30 Å. In the second Hg2+ site, Hg2+ is bonded to six Cl1- atoms to form distorted corner-sharing HgCl6 octahedra. The corner-sharing octahedra tilt angles range from 8–23°. There are a spread of Hg–Cl bond distances ranging from 2.41–3.32 Å. In the third Hg2+ site, Hg2+ is bonded to six Cl1- atoms to form distorted corner-sharing HgCl6 octahedra. The corner-sharing octahedra tilt angles range from 3–20°. There are a spread of Hg–Cl bond distances ranging from 2.41–3.32 Å. There are nine inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and two Hg2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and two equivalent Hg2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Cs1+ and two Hg2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three Cs1+ and two equivalent Hg2+ atoms. In the fifth Cl1- site, Cl1- is bonded to four Cs1+ and two Hg2+ atoms to form distorted corner-sharing ClCs4Hg2 octahedra. The corner-sharing octahedral tilt angles are 60°. In the sixth Cl1- site, Cl1- is bonded in a 6-coordinate geometry to four Cs1+ and two Hg2+ atoms. In the seventh Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Cs1+ and two Hg2+ atoms. In the eighth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and two equivalent Hg2+ atoms. In the ninth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Cs1+ and two Hg2+ atoms.
Cs3Sb5O14 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to one O2- atom. The Cs–O bond length is 2.73 Å. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.18–3.56 Å. In the third Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 2.75–3.63 Å. There are four inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with five SbO6 octahedra and a cornercorner with one SbO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 31–48°. There are a spread of Sb–O bond distances ranging from 1.97–2.14 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 39–48°. There are a spread of Sb–O bond distances ranging from 1.98–2.04 Å. In the third Sb5+ site, Sb5+ is bonded to five O2- atoms to form SbO5 trigonal bipyramids that share corners with five SbO6 octahedra and an edgeedge with one SbO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 48–61°. There are a spread of Sb–O bond distances ranging from 1.92–2.22 Å. In the fourth Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with three equivalent SbO5 trigonal bipyramids, and an edgeedge with one SbO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of Sb–O bond distances ranging from 1.96–2.21 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Cs1+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb5+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+ and two Sb5+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+ and two Sb5+ atoms. In the seventh O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Cs1+ and two equivalent Sb5+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent Sb5+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+ and two Sb5+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and two Sb5+ atoms.
Cs3BS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Cs–S bond distances ranging from 3.46–3.79 Å. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Cs–S bond distances ranging from 3.49–3.69 Å. In the third Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to four S2- atoms. There are a spread of Cs–S bond distances ranging from 3.51–3.67 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There is two shorter (1.84 Å) and one longer (1.85 Å) B–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to five Cs1+ and one B3+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to six Cs1+ and one B3+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to five Cs1+ and one B3+ atom.
Cs3O is Bismuth triodide-like structured and crystallizes in the hexagonal P6_3/mcm space group. The structure is one-dimensional and consists of one Cs3O ribbon oriented in the (0, 0, 1) direction. Cs is bonded in an L-shaped geometry to two equivalent O atoms. Both Cs–O bond lengths are 2.90 Å. O is bonded to six equivalent Cs atoms to form face-sharing OCs6 octahedra.
CsB9O13 crystallizes in the tetragonal P4_122 space group. The structure is three-dimensional. Cs is bonded in a 2-coordinate geometry to two equivalent O atoms. Both Cs–O bond lengths are 2.97 Å. There are five inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.36–1.38 Å. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.34 Å) and two longer (1.40 Å) B–O bond length. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.32 Å) and two longer (1.41 Å) B–O bond length. In the fourth B site, B is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.46 Å) and two longer (1.48 Å) B–O bond length. In the fifth B site, B is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.33 Å) and one longer (1.43 Å) B–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Cs and two B atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent B atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to two B atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two B atoms. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to two B atoms.
CsBe4Al4(B3O7)4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve equivalent O atoms. All Cs–O bond lengths are 3.32 Å. Be is bonded to four O atoms to form BeO4 tetrahedra that share corners with three equivalent AlO6 octahedra and corners with six equivalent BO4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. There is one shorter (1.56 Å) and three longer (1.67 Å) Be–O bond length. Al is bonded to six O atoms to form AlO6 octahedra that share corners with three equivalent BeO4 tetrahedra, corners with six equivalent BO4 tetrahedra, and edges with three equivalent AlO6 octahedra. There is three shorter (1.93 Å) and three longer (1.97 Å) Al–O bond length. B is bonded to four O atoms to form BO4 tetrahedra that share corners with two equivalent AlO6 octahedra, corners with two equivalent BeO4 tetrahedra, and corners with four equivalent BO4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. All B–O bond lengths are 1.50 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to one Cs, one Be, and two equivalent B atoms. In the second O site, O is bonded to one Be and three equivalent Al atoms to form distorted edge-sharing OBeAl3 tetrahedra. In the third O site, O is bonded in a trigonal planar geometry to one Al and two equivalent B atoms.
CsH5O3 crystallizes in the orthorhombic Pca2_1 space group. The structure is one-dimensional and consists of two CsH5O3 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to one O2- atom. The Cs–O bond length is 2.99 Å. In the second Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to one H1+ and three O2- atoms. The Cs–H bond length is 3.10 Å. There are a spread of Cs–O bond distances ranging from 3.23–3.38 Å. There are ten inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.60 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.02 Å. In the third 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 fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one Cs1+ and one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.61 Å) H–O bond length. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the eighth H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.02 Å. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the tenth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.57 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 Cs1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to one Cs1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to one Cs1+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three H1+ atoms. In the sixth O2- site, O2- is bonded in a water-like geometry to one Cs1+ and two H1+ atoms.
Cs3P7 crystallizes in the tetragonal P4_1 space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to ten P+0.43- atoms. There are a spread of Cs–P bond distances ranging from 3.66–4.05 Å. In the second Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to nine P+0.43- atoms. There are a spread of Cs–P bond distances ranging from 3.69–4.20 Å. In the third Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight P+0.43- atoms. There are a spread of Cs–P bond distances ranging from 3.64–3.94 Å. There are seven inequivalent P+0.43- sites. In the first P+0.43- site, P+0.43- is bonded in a 7-coordinate geometry to four Cs1+ and three P+0.43- atoms. There are a spread of P–P bond distances ranging from 2.14–2.31 Å. In the second P+0.43- site, P+0.43- is bonded in a 6-coordinate geometry to three Cs1+ and three P+0.43- atoms. There are one shorter (2.14 Å) and one longer (2.31 Å) P–P bond lengths. In the third P+0.43- site, P+0.43- is bonded to four Cs1+ and two P+0.43- atoms to form distorted PCs4P2 pentagonal pyramids that share corners with two equivalent PCs3P3 octahedra, corners with two equivalent PCs4P2 pentagonal pyramids, and an edgeedge with one PCs3P3 octahedra. The corner-sharing octahedra tilt angles range from 37–145°. There are one shorter (2.14 Å) and one longer (2.20 Å) P–P bond lengths. In the fourth P+0.43- site, P+0.43- is bonded in a 6-coordinate geometry to four Cs1+ and two P+0.43- atoms. The P–P bond length is 2.19 Å. In the fifth P+0.43- site, P+0.43- is bonded in a 7-coordinate geometry to five Cs1+ and two P+0.43- atoms. The P–P bond length is 2.20 Å. In the sixth P+0.43- site, P+0.43- is bonded to three Cs1+ and three P+0.43- atoms to form distorted PCs3P3 octahedra that share corners with two equivalent PCs3P3 octahedra, corners with two equivalent PCs4P2 pentagonal pyramids, and an edgeedge with one PCs4P2 pentagonal pyramid. The corner-sharing octahedral tilt angles are 61°. In the seventh P+0.43- site, P+0.43- is bonded in a 7-coordinate geometry to four Cs1+ and three P+0.43- atoms.
Cs3GaSe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.61–4.30 Å. In the second Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.59–4.29 Å. In the third Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.51–3.81 Å. Ga3+ is bonded to four Se2- atoms to form edge-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.42–2.54 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to four Cs1+ and two equivalent Ga3+ atoms. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to seven Cs1+ and one Ga3+ atom. In the third Se2- site, Se2- is bonded in a 1-coordinate geometry to seven Cs1+ and one Ga3+ atom.
CsPH3O4F crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to one H1+, five O2-, and three equivalent F1- atoms. The Cs–H bond length is 3.25 Å. There are a spread of Cs–O bond distances ranging from 3.13–3.46 Å. There are a spread of Cs–F bond distances ranging from 3.06–3.33 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.56 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to one Cs1+, one O2-, and one F1- atom. The H–O bond length is 1.32 Å. The H–F bond length is 1.06 Å. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.53 Å) H–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 Cs1+, one P5+, and one H1+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Cs1+, one P5+, and one H1+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Cs1+, one P5+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Cs1+, one P5+, and two H1+ atoms. F1- is bonded in a single-bond geometry to three equivalent Cs1+ and one H1+ atom.
CsClO4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve equivalent O atoms. All Cs–O bond lengths are 3.42 Å. O is bonded in a single-bond geometry to three equivalent Cs and one Cl atom. The O–Cl bond length is 1.47 Å. Cl is bonded in a tetrahedral geometry to four equivalent O atoms.
CsO2Cl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs is bonded to eight equivalent O atoms to form a mixture of edge, face, and corner-sharing CsO8 hexagonal bipyramids. There are four shorter (3.18 Å) and four longer (3.43 Å) Cs–O bond lengths. O is bonded in a 5-coordinate geometry to four equivalent Cs and one Cl atom. The O–Cl bond length is 1.58 Å. Cl is bonded in a water-like geometry to two equivalent O atoms.
Cs3Ta2S11 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine S+1.18- atoms. There are a spread of Cs–S bond distances ranging from 3.54–3.93 Å. In the second Cs1+ site, Cs1+ is bonded in a 11-coordinate geometry to eleven S+1.18- atoms. There are a spread of Cs–S bond distances ranging from 3.57–4.00 Å. In the third Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten S+1.18- atoms. There are a spread of Cs–S bond distances ranging from 3.53–4.24 Å. There are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded in a 7-coordinate geometry to seven S+1.18- atoms. There are a spread of Ta–S bond distances ranging from 2.24–2.99 Å. In the second Ta5+ site, Ta5+ is bonded in a 7-coordinate geometry to seven S+1.18- atoms. There are a spread of Ta–S bond distances ranging from 2.24–2.93 Å. There are eleven inequivalent S+1.18- sites. In the first S+1.18- site, S+1.18- is bonded in a 1-coordinate geometry to three Cs1+, one Ta5+, and one S+1.18- atom. The S–S bond length is 2.09 Å. In the second S+1.18- site, S+1.18- is bonded in a 1-coordinate geometry to two equivalent Cs1+ and two Ta5+ atoms. In the third S+1.18- site, S+1.18- is bonded in a 1-coordinate geometry to three Cs1+ and one Ta5+ atom. In the fourth S+1.18- site, S+1.18- is bonded in a 1-coordinate geometry to three Cs1+ and one Ta5+ atom. In the fifth S+1.18- site, S+1.18- is bonded in a 1-coordinate geometry to two equivalent Cs1+ and two Ta5+ atoms. In the sixth S+1.18- site, S+1.18- is bonded in a 1-coordinate geometry to three Cs1+ and one Ta5+ atom. In the seventh S+1.18- site, S+1.18- is bonded in a 1-coordinate geometry to two Cs1+, one Ta5+, and one S+1.18- atom. In the eighth S+1.18- site, S+1.18- is bonded in a distorted single-bond geometry to three Cs1+ and one Ta5+ atom. In the ninth S+1.18- site, S+1.18- is bonded in a 1-coordinate geometry to four Cs1+ and one Ta5+ atom. In the tenth S+1.18- site, S+1.18- is bonded in a 2-coordinate geometry to one Cs1+ and two Ta5+ atoms. In the eleventh S+1.18- site, S+1.18- is bonded in a distorted single-bond geometry to four Cs1+ and one Ta5+ atom.
Cs3Ga2F9 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Cs–F bond distances ranging from 3.11–3.45 Å. In the second Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Cs–F bond distances ranging from 3.13–3.51 Å. In the third Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Cs–F bond distances ranging from 3.21–3.69 Å. There are four inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six F1- atoms to form distorted face-sharing GaF6 octahedra. There is three shorter (1.85 Å) and three longer (2.05 Å) Ga–F bond length. In the second Ga3+ site, Ga3+ is bonded to six F1- atoms to form distorted face-sharing GaF6 octahedra. There is three shorter (1.86 Å) and three longer (2.05 Å) Ga–F bond length. In the third Ga3+ site, Ga3+ is bonded to six F1- atoms to form distorted face-sharing GaF6 octahedra. There is three shorter (1.86 Å) and three longer (2.05 Å) Ga–F bond length. In the fourth Ga3+ site, Ga3+ is bonded to six F1- atoms to form distorted face-sharing GaF6 octahedra. There is three shorter (1.86 Å) and three longer (2.05 Å) Ga–F bond length. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to four Cs1+ and one Ga3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to four Cs1+ and one Ga3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to four Cs1+ and one Ga3+ atom. In the fourth F1- site, F1- is bonded in a distorted L-shaped geometry to four Cs1+ and two Ga3+ atoms. In the fifth F1- site, F1- is bonded in a single-bond geometry to four Cs1+ and one Ga3+ atom. In the sixth F1- site, F1- is bonded in an L-shaped geometry to four Cs1+ and two Ga3+ atoms.
Cs5Nb2S4Br9 crystallizes in the orthorhombic Immm 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 two equivalent S2- and eight Br+0.33- atoms. Both Cs–S bond lengths are 4.03 Å. There are a spread of Cs–Br bond distances ranging from 3.61–3.92 Å. In the second Cs1+ site, Cs1+ is bonded to six Br+0.33- atoms to form corner-sharing CsBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.59 Å) and two longer (3.86 Å) Cs–Br bond lengths. Nb3+ is bonded in a 8-coordinate geometry to four equivalent S2- and four Br+0.33- atoms. All Nb–S bond lengths are 2.51 Å. There are two shorter (2.72 Å) and two longer (2.83 Å) Nb–Br bond lengths. S2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, two equivalent Nb3+, and two equivalent Br+0.33- atoms. Both S–Br bond lengths are 3.29 Å. There are three inequivalent Br+0.33- sites. In the first Br+0.33- site, Br+0.33- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Nb3+ atom. In the second Br+0.33- site, Br+0.33- is bonded in a 7-coordinate geometry to four Cs1+, one Nb3+, and two equivalent S2- atoms. In the third Br+0.33- site, Br+0.33- is bonded to six Cs1+ atoms to form corner-sharing BrCs6 octahedra. The corner-sharing octahedral tilt angles are 0°.
Cs3U2Ge2O11 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.03–3.50 Å. In the second Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 2.93–3.50 Å. In the third Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 2.95–3.74 Å. There are three inequivalent U+5.50+ sites. In the first U+5.50+ site, U+5.50+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two UO6 octahedra and corners with four GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 35–39°. There are a spread of U–O bond distances ranging from 2.02–2.26 Å. In the second U+5.50+ site, U+5.50+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent UO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of U–O bond distances ranging from 1.89–2.29 Å. In the third U+5.50+ site, U+5.50+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent UO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of U–O bond distances ranging from 1.87–2.27 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three UO6 octahedra and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–54°. There are a spread of Ge–O bond distances ranging from 1.76–1.81 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three UO6 octahedra and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 43–52°. There is three shorter (1.77 Å) and one longer (1.81 Å) Ge–O bond length. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Cs1+, one U+5.50+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three Cs1+, one U+5.50+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cs1+, one U+5.50+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Cs1+ and two Ge4+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Cs1+, one U+5.50+, and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Cs1+ and two U+5.50+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one U+5.50+, and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+ and two U+5.50+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+ and one U+5.50+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+ and one U+5.50+ atom. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to two Cs1+, one U+5.50+, and one Ge4+ atom.
CsKSO4Te(OH)6 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to one H1+ and eight O2- atoms. The Cs–H bond length is 3.38 Å. There are a spread of Cs–O bond distances ranging from 3.07–3.45 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.10–3.44 Å. There are two inequivalent K1+ sites. In the first 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 2.74–3.13 Å. In the second 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 2.74–3.04 Å. There are twelve inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one Cs1+ and one O2- atom. The H–O bond length is 1.01 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded in an octahedral geometry to six O2- atoms. There is four shorter (1.95 Å) and two longer (1.96 Å) Te–O bond length. In the second Te6+ site, Te6+ is bonded in an octahedral geometry to six O2- atoms. There is two shorter (1.95 Å) and four longer (1.96 Å) Te–O bond length. There are two 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 1.49–1.51 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 1.49–1.51 Å. There are twenty inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Cs1+ and one S6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two K1+, one H1+, and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one H1+, and one Te6+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one H1+, and one Te6+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Cs1+, one H1+, and one Te6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Cs1+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+, one H1+, and one Te6+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+, one K1+, and one S6+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+ and one S6+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one H1+, and one Te6+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, one H1+, and one Te6+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one H1+, and one Te6+ atom. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S6+ atom. In the fifteenth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S6+ atom. In the sixteenth O2- site, O2- is bonded in a 1-coordinate geometry to two Cs1+, one H1+, and one Te6+ atom. In the seventeenth O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, one H1+, and one Te6+ atom. In the eighteenth O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+, one K1+, and one S6+ atom. In the nineteenth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one H1+, and one Te6+ atom. In the twentieth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one H1+, and one Te6+ atom.