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Materials Data on Sb(OF3)2 by Materials Project

SbF6O2 crystallizes in the cubic Ia-3 space group. The structure is zero-dimensional and consists of sixteen water molecules and eight SbF6 clusters. In each SbF6 cluster, Sb is bonded in an octahedral geometry to six equivalent F atoms. All Sb–F bond lengths are 1.93 Å. F is bonded in a single-bond geometry to one Sb atom.

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Materials Data on SbH(OF3)2 by Materials Project

SbH(OF3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two SbH(OF3)2 clusters. Sb is bonded in a distorted octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.89–2.24 Å. H is bonded in a distorted linear geometry to one O and one F atom. The H–O bond length is 1.61 Å. The H–F bond length is 0.98 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to one H and one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a single-bond geometry to one O atom. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Sb and one H atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a single-bond geometry to one Sb atom. In the sixth F site, F is bonded in a single-bond geometry to one Sb atom.

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Materials Data on SbP(OF3)2 by Materials Project

SbP(OF3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one SbP(OF3)2 cluster. Sb5+ is bonded to two O2- and four F1- atoms to form SbO2F4 octahedra that share corners with two equivalent PO2F2 tetrahedra. Both Sb–O bond lengths are 2.06 Å. There is three shorter (1.89 Å) and one longer (1.91 Å) Sb–F bond length. P5+ is bonded to two O2- and two F1- atoms to form PO2F2 tetrahedra that share corners with two equivalent SbO2F4 octahedra. The corner-sharing octahedra tilt angles range from 43–44°. There is one shorter (1.51 Å) and one longer (1.52 Å) P–O bond length. There is one shorter (1.53 Å) and one longer (1.54 Å) P–F bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sb5+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sb5+ and one P5+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.

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Materials Data on SbN(OF3)2 by Materials Project

NO2SbF6 is Heusler-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is zero-dimensional and consists of two hydroxylamine, n-hydroxy- molecules and two SbF6 clusters. In each SbF6 cluster, Sb5+ is bonded in an octahedral geometry to six F1- atoms. All Sb–F bond lengths are 1.92 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.

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Materials Data on NaSb2(OF3)2 by Materials Project

NaSb2(OF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded in a 7-coordinate geometry to one O and six F atoms. The Na–O bond length is 2.35 Å. There are a spread of Na–F bond distances ranging from 2.34–2.80 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded to one O and four F atoms to form distorted SbOF4 square pyramids that share a cornercorner with one SbO2F3 trigonal bipyramid and an edgeedge with one SbOF4 square pyramid. The Sb–O bond length is 1.96 Å. There are a spread of Sb–F bond distances ranging from 1.92–2.20 Å. In the second Sb site, Sb is bonded to two O and three F atoms to form corner-sharing SbO2F3 trigonal bipyramids. There is one shorter (1.85 Å) and one longer (2.00 Å) Sb–O bond length. There are a spread of Sb–F bond distances ranging from 1.92–1.98 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the second O site, O is bonded in a bent 150 degrees geometry to one Na and one Sb atom. There are six inequivalent F sites. In the first F site, F is bonded in a 3-coordinate geometry to two equivalent Na and one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a bent 120 degrees geometry to one Na and one Sb atom. In the fourth F site, F is bonded in a water-like geometry to one Na and one Sb atom. In the fifth F site, F is bonded in a bent 120 degrees geometry to two equivalent Sb atoms. In the sixth F site, F is bonded in a 3-coordinate geometry to two equivalent Na and one Sb atom.

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Materials Data on AgSbS(OF3)2 by Materials Project

AgSbS(OF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag1+ is bonded in a 8-coordinate geometry to two O2- and six F1- atoms. There are one shorter (2.64 Å) and one longer (2.67 Å) Ag–O bond lengths. There are a spread of Ag–F bond distances ranging from 2.55–2.85 Å. Sb3+ is bonded in an octahedral geometry to six F1- atoms. There is three shorter (1.92 Å) and three longer (1.93 Å) Sb–F bond length. S6+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one S6+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Ag1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one Ag1+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and one Sb3+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Ag1+ and one Sb3+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and one Sb3+ atom.

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Materials Data on AgSbC6N4(OF3)2 by Materials Project

Ag(CN)4(CO)2SbF6 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight formaldehyde molecules, four Ag(CN)4 clusters, and four SbF6 clusters. In each Ag(CN)4 cluster, Ag1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are two shorter (2.27 Å) and two longer (2.32 Å) Ag–N bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. In the second C4+ site, C4+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted linear geometry to one Ag1+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted linear geometry to one Ag1+ and one C4+ atom. In each SbF6 cluster, Sb3- is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.92 Å) and two longer (1.93 Å) Sb–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom.

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Materials Data on LiSbP(OF3)2 by Materials Project

LiSbP(OF3)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to one O2- and three F1- atoms to form distorted LiOF3 trigonal pyramids that share a cornercorner with one SbO2F4 octahedra and corners with two equivalent PO2F2 tetrahedra. The corner-sharing octahedral tilt angles are 51°. The Li–O bond length is 1.93 Å. There are a spread of Li–F bond distances ranging from 1.89–2.21 Å. In the second Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Li–F bond distances ranging from 1.84–2.53 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded in a 4-coordinate geometry to one O2- and four F1- atoms. The Sb–O bond length is 2.61 Å. There are a spread of Sb–F bond distances ranging from 1.94–2.31 Å. In the second Sb5+ site, Sb5+ is bonded to two O2- and four F1- atoms to form SbO2F4 octahedra that share corners with two PO2F2 tetrahedra and a cornercorner with one LiOF3 trigonal pyramid. There are one shorter (2.01 Å) and one longer (2.02 Å) Sb–O bond lengths. There are a spread of Sb–F bond distances ranging from 1.89–1.93 Å. There are two inequivalent P4+ sites. In the first P4+ site, P4+ is bonded to two O2- and two F1- atoms to form PO2F2 tetrahedra that share a cornercorner with one SbO2F4 octahedra. The corner-sharing octahedral tilt angles are 44°. There is one shorter (1.47 Å) and one longer (1.55 Å) P–O bond length. There is one shorter (1.56 Å) and one longer (1.57 Å) P–F bond length. In the second P4+ site, P4+ is bonded to two O2- and two F1- atoms to form PO2F2 tetrahedra that share a cornercorner with one SbO2F4 octahedra and corners with two equivalent LiOF3 trigonal pyramids. The corner-sharing octahedral tilt angles are 46°. There is one shorter (1.47 Å) and one longer (1.54 Å) P–O bond length. There is one shorter (1.54 Å) and one longer (1.57 Å) P–F bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Sb5+ and one P4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sb5+ and one P4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one P4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sb5+ and one P4+ atom. There are twelve inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted water-like geometry to one Li1+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Li1+ and one P4+ atom. In the third F1- site, F1- is bonded in a linear geometry to one Li1+ and one P4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Sb5+ atom. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one Sb5+ atom. In the eighth F1- site, F1- is bonded in a distorted linear geometry to one Li1+ and one Sb5+ atom. In the ninth F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Sb5+ atom. In the tenth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one P4+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one P4+ atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.

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Materials Data on Li2SbP(OF3)2 by Materials Project

Li2SbP(OF3)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to one O2- and four F1- atoms. The Li–O bond length is 1.95 Å. There are a spread of Li–F bond distances ranging from 1.79–2.51 Å. In the second Li1+ site, Li1+ is bonded in a 5-coordinate geometry to two O2- and three F1- atoms. There are one shorter (2.07 Å) and one longer (2.57 Å) Li–O bond lengths. There are a spread of Li–F bond distances ranging from 1.93–2.15 Å. In the third Li1+ site, Li1+ is bonded in a distorted see-saw-like geometry to one O2- and three F1- atoms. The Li–O bond length is 1.96 Å. There are a spread of Li–F bond distances ranging from 1.84–2.25 Å. In the fourth Li1+ site, Li1+ is bonded in a distorted trigonal non-coplanar geometry to three F1- atoms. There are a spread of Li–F bond distances ranging from 1.81–2.23 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to two O2- and four F1- atoms to form distorted SbO2F4 octahedra that share corners with two PO2F2 tetrahedra. There are one shorter (2.27 Å) and one longer (2.67 Å) Sb–O bond lengths. There are a spread of Sb–F bond distances ranging from 1.98–2.52 Å. In the second Sb3+ site, Sb3+ is bonded in a 6-coordinate geometry to two O2- and four F1- atoms. There are one shorter (2.62 Å) and one longer (2.74 Å) Sb–O bond lengths. There are a spread of Sb–F bond distances ranging from 2.01–2.15 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to two O2- and two F1- atoms to form PO2F2 tetrahedra that share a cornercorner with one SbO2F4 octahedra. The corner-sharing octahedral tilt angles are 35°. Both P–O bond lengths are 1.49 Å. There is one shorter (1.57 Å) and one longer (1.58 Å) P–F bond length. In the second P5+ site, P5+ is bonded to two O2- and two F1- atoms to form PO2F2 tetrahedra that share a cornercorner with one SbO2F4 octahedra. The corner-sharing octahedral tilt angles are 50°. Both P–O bond lengths are 1.49 Å. Both P–F bond lengths are 1.59 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb3+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Li1+, one Sb3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Sb3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+, one Sb3+, and one P5+ atom. There are twelve inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Li1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Li1+ and one P5+ atom. In the third F1- site, F1- is bonded in a linear geometry to one Li1+ and one P5+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one Sb3+ atom. In the fifth F1- site, F1- is bonded in a distorted linear geometry to one Li1+ and one Sb3+ atom. In the sixth F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Sb3+ atom. In the seventh F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two Li1+ and one Sb3+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the ninth F1- site, F1- is bonded in a distorted L-shaped geometry to one Li1+ and one Sb3+ atom. In the tenth F1- site, F1- is bonded in a distorted linear geometry to one Li1+ and one P5+ atom. In the eleventh F1- site, F1- is bonded in a distorted linear geometry to one Li1+ and one P5+ atom. In the twelfth F1- site, F1- is bonded in a distorted water-like geometry to one Li1+ and one Sb3+ atom.

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Materials Data on SbCl(OF3)2 by Materials Project

SbF6ClO2 is beta-prime cadmium gold structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of two hypochlorous acid;hydrate molecules and two SbF6 clusters. In each SbF6 cluster, Sb is bonded in an octahedral geometry to six F atoms. There is four shorter (1.91 Å) and two longer (1.95 Å) Sb–F bond length. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom.

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Materials Data on SbBr(OF3)2 by Materials Project

SbF6O2Br is beta-prime cadmium gold structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of two hypobromous acid;hydrate molecules and two SbF6 clusters. In each SbF6 cluster, Sb5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.95 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.

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Materials Data on SbIrC2(OF3)2 by Materials Project

Ir2F(CO)4Sb2F11 crystallizes in the tetragonal P-4n2 space group. The structure is zero-dimensional and consists of sixteen formaldehyde molecules, four Ir2F clusters, and four Sb2F11 clusters. In each Ir2F cluster, Ir5+ is bonded in a distorted single-bond geometry to one F1- atom. The Ir–F bond length is 2.09 Å. F1- is bonded in a water-like geometry to two equivalent Ir5+ atoms. In each Sb2F11 cluster, Sb3- is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.89–2.09 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sb3- atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom.

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Materials Data on SbC2N(OF3)2 by Materials Project

C2SbN(OF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four C2SbN(OF3)2 clusters. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to one N3-, one O2-, and one F1- atom. The C–N bond length is 1.33 Å. The C–O bond length is 1.25 Å. The C–F bond length is 1.32 Å. In the second C4+ site, C4+ is bonded in a linear geometry to one N3- and one O2- atom. The C–N bond length is 1.24 Å. The C–O bond length is 1.16 Å. Sb5+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Sb–O bond length is 2.16 Å. There is three shorter (1.90 Å) and two longer (1.91 Å) Sb–F bond length. N3- is bonded in a bent 120 degrees geometry to two C4+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one C4+ and one Sb5+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one C4+ atom.

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Materials Data on Sb2H8Pt(OF3)4 by Materials Project

PtH8O4(SbF6)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one platinum tetrahydrate molecule and two SbF6 clusters. In each SbF6 cluster, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.94 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.

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Materials Data on SbH3C2(O2F3)2 by Materials Project

CHO2CSbH2(OF3)2 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four formic acid molecules and four CSbH2(OF3)2 clusters. In each CSbH2(OF3)2 cluster, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.28 Å. Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.95 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one F1- atom. The H–O bond length is 1.02 Å. The H–F bond length is 1.59 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one C4+ and one H1+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one C4+ and one H1+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sb3+ and one H1+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.

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