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DOE OSTI2020

Materials Data on Hf5Sb3 by Materials Project

Hf5Sb3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Hf sites. In the first Hf site, Hf is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Hf–Sb bond distances ranging from 2.85–3.11 Å. In the second Hf site, Hf is bonded to five Sb atoms to form a mixture of distorted face, edge, and corner-sharing HfSb5 trigonal bipyramids. There are a spread of Hf–Sb bond distances ranging from 2.85–3.05 Å. In the third Hf site, Hf is bonded in a 6-coordinate geometry to six Sb atoms. There are a spread of Hf–Sb bond distances ranging from 2.83–3.23 Å. In the fourth Hf site, Hf is bonded to five Sb atoms to form a mixture of distorted face, edge, and corner-sharing HfSb5 square pyramids. There are a spread of Hf–Sb bond distances ranging from 2.94–2.98 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to eight Hf atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to nine Hf atoms.

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Materials Data on Ca5Sb3 by Materials Project

Ca5Sb3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ca sites. In the first Ca site, Ca is bonded in a 4-coordinate geometry to five Sb atoms. There are a spread of Ca–Sb bond distances ranging from 3.06–3.77 Å. In the second Ca site, Ca is bonded to five Sb atoms to form a mixture of distorted edge, corner, and face-sharing CaSb5 square pyramids. There are a spread of Ca–Sb bond distances ranging from 3.19–3.38 Å. In the third Ca site, Ca is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Ca–Sb bond distances ranging from 3.09–3.45 Å. In the fourth Ca site, Ca is bonded to five Sb atoms to form a mixture of distorted edge, corner, and face-sharing CaSb5 square pyramids. There are a spread of Ca–Sb bond distances ranging from 3.23–3.29 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 9-coordinate geometry to nine Ca atoms. In the second Sb site, Sb is bonded in a 7-coordinate geometry to seven Ca atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Sr5Sb3 by Materials Project

Sr5Sb3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded to four Sb atoms to form distorted SrSb4 trigonal pyramids that share corners with six SrSb5 square pyramids, corners with six equivalent SrSb4 trigonal pyramids, edges with three SrSb5 square pyramids, and an edgeedge with one SrSb4 trigonal pyramid. There are a spread of Sr–Sb bond distances ranging from 3.22–3.51 Å. In the second Sr site, Sr is bonded to five Sb atoms to form distorted SrSb5 square pyramids that share corners with eight SrSb5 square pyramids, corners with four equivalent SrSb4 trigonal pyramids, an edgeedge with one SrSb5 square pyramid, edges with four equivalent SrSb4 trigonal pyramids, and a faceface with one SrSb5 square pyramid. There are a spread of Sr–Sb bond distances ranging from 3.35–3.57 Å. In the third Sr site, Sr is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Sr–Sb bond distances ranging from 3.27–3.65 Å. In the fourth Sr site, Sr is bonded to five Sb atoms to form distorted SrSb5 square pyramids that share corners with four equivalent SrSb5 square pyramids, corners with eight equivalent SrSb4 trigonal pyramids, edges with three SrSb5 square pyramids, edges with two equivalent SrSb4 trigonal pyramids, and a faceface with one SrSb5 square pyramid. There are a spread of Sr–Sb bond distances ranging from 3.43–3.49 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to eight Sr atoms. In the second Sb site, Sb is bonded to seven Sr atoms to form distorted edge-sharing SbSr7 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
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Materials Data on SbClF8 by Materials Project

SbClF8 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one SbClF8 ribbon oriented in the (0, 0, 1) direction. there are two inequivalent Sb sites. In the first Sb site, Sb is bonded in an octahedral geometry to six F atoms. There is four shorter (1.90 Å) and two longer (1.98 Å) Sb–F bond length. In the second Sb site, Sb is bonded in an octahedral geometry to six F atoms. There is four shorter (1.90 Å) and two longer (1.97 Å) Sb–F bond length. Cl is bonded in a distorted rectangular see-saw-like geometry to four F atoms. There are a spread of Cl–F bond distances ranging from 1.61–2.23 Å. There are eight 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 Cl atom. In the fourth F site, F is bonded in a single-bond geometry to one Cl atom. In the fifth F site, F is bonded in a distorted single-bond geometry to one Sb and one Cl atom. In the sixth F site, F is bonded in a distorted bent 150 degrees geometry to one Sb and one Cl atom. In the seventh F site, F is bonded in a single-bond geometry to one Sb atom. In the eighth F site, F is bonded in a single-bond geometry to one Sb atom.

36 MATERIALS SCIENCE↗
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Materials Data on KSb2 by Materials Project

KSb2 is Magnesium tetraboride-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight Sb atoms. There are a spread of K–Sb bond distances ranging from 3.61–3.99 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 6-coordinate geometry to four equivalent K and two equivalent Sb atoms. Both Sb–Sb bond lengths are 2.92 Å. In the second Sb site, Sb is bonded in a 7-coordinate geometry to four equivalent K and three Sb atoms. The Sb–Sb bond length is 2.92 Å.

36 MATERIALS SCIENCE↗
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Materials Data on SmSb2 by Materials Project

SmSb2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine Sb+1.50- atoms. There are a spread of Sm–Sb bond distances ranging from 3.19–3.45 Å. There are two inequivalent Sb+1.50- sites. In the first Sb+1.50- site, Sb+1.50- is bonded in a 6-coordinate geometry to five equivalent Sm3+ and one Sb+1.50- atom. The Sb–Sb bond length is 2.86 Å. In the second Sb+1.50- site, Sb+1.50- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Sb+1.50- atoms. All Sb–Sb bond lengths are 3.11 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Sb7Pd20 by Materials Project

Pd20Sb7 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 2-coordinate geometry to six Pd and four equivalent Sb atoms. There are a spread of Pd–Pd bond distances ranging from 2.86–3.06 Å. There are a spread of Pd–Sb bond distances ranging from 2.66–3.16 Å. In the second Pd site, Pd is bonded in a 3-coordinate geometry to seven Pd and three equivalent Sb atoms. There are one shorter (2.76 Å) and three longer (2.95 Å) Pd–Pd bond lengths. All Pd–Sb bond lengths are 2.65 Å. In the third Pd site, Pd is bonded in a 3-coordinate geometry to eight Pd and three Sb atoms. There are a spread of Pd–Pd bond distances ranging from 2.87–2.92 Å. There are a spread of Pd–Sb bond distances ranging from 2.69–2.95 Å. In the fourth Pd site, Pd is bonded in a 4-coordinate geometry to eight Pd and four Sb atoms. Both Pd–Pd bond lengths are 3.07 Å. There are a spread of Pd–Sb bond distances ranging from 2.68–2.86 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a cuboctahedral geometry to twelve Pd atoms. In the second Sb site, Sb is bonded in a 10-coordinate geometry to ten Pd atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Sb2MoS by Materials Project

MoSb2S crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 3-coordinate geometry to three Sb2- and three S2- atoms. There are two shorter (2.86 Å) and one longer (2.90 Å) Mo–Sb bond lengths. There are two shorter (2.38 Å) and one longer (2.40 Å) Mo–S bond lengths. In the second Mo6+ site, Mo6+ is bonded in a 3-coordinate geometry to three Sb2- and three S2- atoms. There are two shorter (2.87 Å) and one longer (2.88 Å) Mo–Sb bond lengths. There are two shorter (2.38 Å) and one longer (2.40 Å) Mo–S bond lengths. In the third Mo6+ site, Mo6+ is bonded in a 3-coordinate geometry to three Sb2- and three S2- atoms. There are two shorter (2.85 Å) and one longer (2.89 Å) Mo–Sb bond lengths. There are two shorter (2.38 Å) and one longer (2.40 Å) Mo–S bond lengths. There are five inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a rectangular see-saw-like geometry to four Sb2- atoms. There are a spread of Sb–Sb bond distances ranging from 2.87–3.23 Å. In the second Sb2- site, Sb2- is bonded in a 4-coordinate geometry to three Mo6+ and five Sb2- atoms. There are two shorter (3.23 Å) and two longer (3.36 Å) Sb–Sb bond lengths. In the third Sb2- site, Sb2- is bonded in a 4-coordinate geometry to three Mo6+ and five Sb2- atoms. There are a spread of Sb–Sb bond distances ranging from 2.91–3.35 Å. In the fourth Sb2- site, Sb2- is bonded in a 4-coordinate geometry to three Mo6+ and five Sb2- atoms. The Sb–Sb bond length is 2.88 Å. In the fifth Sb2- site, Sb2- is bonded in a 4-coordinate geometry to three Sb2- atoms. There are one shorter (2.91 Å) and one longer (2.94 Å) Sb–Sb bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three Mo6+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three Mo6+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three Mo6+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Zr5Sb3 by Materials Project

Zr5Sb3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Zr sites. In the first Zr site, Zr is bonded to five Sb atoms to form distorted ZrSb5 square pyramids that share corners with four equivalent ZrSb6 octahedra, edges with two equivalent ZrSb5 square pyramids, and faces with two equivalent ZrSb6 octahedra. The corner-sharing octahedra tilt angles range from 36–47°. There are a spread of Zr–Sb bond distances ranging from 2.94–3.00 Å. In the second Zr site, Zr is bonded to six Sb atoms to form distorted ZrSb6 octahedra that share corners with six equivalent ZrSb6 octahedra, corners with four equivalent ZrSb5 square pyramids, and faces with two equivalent ZrSb5 square pyramids. The corner-sharing octahedra tilt angles range from 30–47°. There are a spread of Zr–Sb bond distances ranging from 2.90–3.15 Å. In the third Zr site, Zr is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Zr–Sb bond distances ranging from 2.84–3.16 Å. In the fourth Zr site, Zr is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Zr–Sb bond distances ranging from 2.86–3.16 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to eight Zr atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to nine Zr atoms.

36 MATERIALS SCIENCE↗
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Materials Data on SbPd2 by Materials Project

SbPd2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to four equivalent Sb atoms. All Pd–Sb bond lengths are 2.78 Å. In the second Pd site, Pd is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Pd–Sb bond distances ranging from 2.71–2.87 Å. In the third Pd site, Pd is bonded in a 4-coordinate geometry to four Sb atoms. There are a spread of Pd–Sb bond distances ranging from 2.67–2.72 Å. In the fourth Pd site, Pd is bonded in a 4-coordinate geometry to four Sb atoms. There are a spread of Pd–Sb bond distances ranging from 2.66–2.81 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 9-coordinate geometry to nine Pd atoms. In the second Sb site, Sb is bonded in a 8-coordinate geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Lu5Sb3 by Materials Project

Lu5Sb3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Lu–Sb bond distances ranging from 2.99–3.37 Å. In the second Lu site, Lu is bonded to five Sb atoms to form distorted LuSb5 square pyramids that share corners with five equivalent LuSb6 octahedra, an edgeedge with one LuSb6 octahedra, edges with two equivalent LuSb5 square pyramids, and a faceface with one LuSb6 octahedra. The corner-sharing octahedra tilt angles range from 36–45°. There are a spread of Lu–Sb bond distances ranging from 3.07–3.12 Å. In the third Lu site, Lu is bonded to six Sb atoms to form distorted LuSb6 octahedra that share corners with five equivalent LuSb5 square pyramids, an edgeedge with one LuSb5 square pyramid, faces with two equivalent LuSb6 octahedra, and a faceface with one LuSb5 square pyramid. There are a spread of Lu–Sb bond distances ranging from 3.01–3.31 Å. In the fourth Lu site, Lu is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Lu–Sb bond distances ranging from 3.00–3.26 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 9-coordinate geometry to nine Lu atoms. In the second Sb site, Sb is bonded in a 8-coordinate geometry to eight Lu atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Tm5Sb3 by Materials Project

Tm5Sb3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Tm sites. In the first Tm site, Tm is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Tm–Sb bond distances ranging from 2.98–3.47 Å. In the second Tm site, Tm is bonded to five Sb atoms to form distorted edge-sharing TmSb5 square pyramids. There are a spread of Tm–Sb bond distances ranging from 3.07–3.13 Å. In the third Tm site, Tm is bonded in a 6-coordinate geometry to six Sb atoms. There are a spread of Tm–Sb bond distances ranging from 3.02–3.43 Å. In the fourth Tm site, Tm is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Tm–Sb bond distances ranging from 2.97–3.27 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 9-coordinate geometry to nine Tm atoms. In the second Sb site, Sb is bonded in a 8-coordinate geometry to eight Tm atoms.

36 MATERIALS SCIENCE↗
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Materials Data on RbSb2 by Materials Project

RbSb2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight Sb atoms. There are a spread of Rb–Sb bond distances ranging from 3.86–4.02 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded to five equivalent Rb and two equivalent Sb atoms to form distorted SbRb5Sb2 pentagonal bipyramids that share corners with four equivalent SbRb5Sb2 pentagonal bipyramids, corners with nine equivalent SbRb3Sb3 pentagonal pyramids, edges with four equivalent SbRb5Sb2 pentagonal bipyramids, edges with four equivalent SbRb3Sb3 pentagonal pyramids, and faces with three equivalent SbRb5Sb2 pentagonal bipyramids. Both Sb–Sb bond lengths are 2.88 Å. In the second Sb site, Sb is bonded to three equivalent Rb and three Sb atoms to form distorted SbRb3Sb3 pentagonal pyramids that share corners with nine equivalent SbRb5Sb2 pentagonal bipyramids, edges with four equivalent SbRb5Sb2 pentagonal bipyramids, and edges with four equivalent SbRb3Sb3 pentagonal pyramids. The Sb–Sb bond length is 2.89 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Yb8Ge3Sb5 by Materials Project

Yb8Ge3Sb5 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to three Ge and four Sb atoms. There are two shorter (2.98 Å) and one longer (3.39 Å) Yb–Ge bond lengths. There are two shorter (3.16 Å) and two longer (3.22 Å) Yb–Sb bond lengths. In the second Yb site, Yb is bonded in a 6-coordinate geometry to six Sb atoms. There are a spread of Yb–Sb bond distances ranging from 3.10–3.73 Å. In the third Yb site, Yb is bonded to one Ge and six Sb atoms to form a mixture of distorted corner, edge, and face-sharing YbGeSb6 pentagonal bipyramids. The Yb–Ge bond length is 3.18 Å. There are a spread of Yb–Sb bond distances ranging from 3.15–3.68 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to five Yb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Yb and four equivalent Ge atoms. There are three inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to eight Yb atoms. In the second Sb site, Sb is bonded in a 6-coordinate geometry to eight Yb atoms. In the third Sb site, Sb is bonded in a 9-coordinate geometry to eight Yb atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Lu7Sb3 by Materials Project

Lu7Sb3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are five inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to one Lu and four Sb atoms. The Lu–Lu bond length is 3.70 Å. There are a spread of Lu–Sb bond distances ranging from 2.98–3.42 Å. In the second Lu site, Lu is bonded in a square co-planar geometry to four equivalent Sb atoms. All Lu–Sb bond lengths are 3.10 Å. In the third Lu site, Lu is bonded in a 3-coordinate geometry to two equivalent Lu and three Sb atoms. Both Lu–Lu bond lengths are 3.42 Å. There are two shorter (3.12 Å) and one longer (3.30 Å) Lu–Sb bond lengths. In the fourth Lu site, Lu is bonded to five Sb atoms to form a mixture of distorted corner and edge-sharing LuSb5 trigonal bipyramids. There are a spread of Lu–Sb bond distances ranging from 2.99–3.21 Å. In the fifth Lu site, Lu is bonded to twelve Lu atoms to form distorted face-sharing LuLu12 cuboctahedra. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to eight Lu atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to nine Lu atoms.

36 MATERIALS SCIENCE↗
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Materials Data on EuSb2 by Materials Project

EuSb2 is Zirconium Disilicide structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Eu3+ is bonded in a 10-coordinate geometry to ten Sb+1.50- atoms. There are a spread of Eu–Sb bond distances ranging from 3.30–3.66 Å. There are two inequivalent Sb+1.50- sites. In the first Sb+1.50- site, Sb+1.50- is bonded in a 4-coordinate geometry to six equivalent Eu3+ and two equivalent Sb+1.50- atoms. Both Sb–Sb bond lengths are 3.01 Å. In the second Sb+1.50- site, Sb+1.50- is bonded in a 8-coordinate geometry to four equivalent Eu3+ and four equivalent Sb+1.50- atoms. There are two shorter (3.02 Å) and two longer (3.44 Å) Sb–Sb bond lengths.

36 MATERIALS SCIENCE↗
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Materials Data on Er5Sb3 by Materials Project

Er5Sb3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six Sb atoms. There are a spread of Er–Sb bond distances ranging from 3.02–3.48 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Er–Sb bond distances ranging from 2.99–3.47 Å. In the third Er site, Er is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Er–Sb bond distances ranging from 2.98–3.29 Å. In the fourth Er site, Er is bonded to five Sb atoms to form distorted edge-sharing ErSb5 square pyramids. There are a spread of Er–Sb bond distances ranging from 3.09–3.14 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to eight Er atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to nine Er atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Sb8Cl27F13 by Materials Project

SbCl3Sb3Cl10F3(Sb2Cl7F5)2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one antimony trichloride molecule; one Sb3Cl10F3 cluster; and one Sb2Cl7F5 ribbon oriented in the (1, 0, 0) direction. In the Sb3Cl10F3 cluster, there are three inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded in a distorted octahedral geometry to four Cl1- and two F1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.35–2.44 Å. There is one shorter (1.94 Å) and one longer (2.03 Å) Sb–F bond length. In the second Sb5+ site, Sb5+ is bonded in a 1-coordinate geometry to two Cl1- and two F1- atoms. There are one shorter (2.37 Å) and one longer (2.87 Å) Sb–Cl bond lengths. There are one shorter (1.92 Å) and one longer (2.48 Å) Sb–F bond lengths. In the third Sb5+ site, Sb5+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.33–2.51 Å. There are ten inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two Cl1- and one F1- atom. There are one shorter (2.03 Å) and one longer (2.91 Å) Cl–Cl bond lengths. The Cl–F bond length is 3.40 Å. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cl1- atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sb5+ and one Cl1- atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the eighth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Sb5+ atoms. In the ninth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the tenth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two Sb5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ and one Cl1- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the Sb2Cl7F5 ribbon, there are four inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded in a 6-coordinate geometry to three Cl1- and three F1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.34–2.86 Å. There are a spread of Sb–F bond distances ranging from 1.90–1.92 Å. In the second Sb5+ site, Sb5+ is bonded in a 3-coordinate geometry to one Cl1- and two F1- atoms. The Sb–Cl bond length is 2.34 Å. There is one shorter (1.94 Å) and one longer (1.95 Å) Sb–F bond length. In the third Sb5+ site, Sb5+ is bonded in a 3-coordinate geometry to one Cl1- and two F1- atoms. The Sb–Cl bond length is 2.39 Å. There is one shorter (1.94 Å) and one longer (1.96 Å) Sb–F bond length. In the fourth Sb5+ site, Sb5+ is bonded in a distorted trigonal bipyramidal geometry to two Cl1- and three F1- atoms. There are one shorter (2.32 Å) and one longer (2.34 Å) Sb–Cl bond lengths. There are a spread of Sb–F bond distances ranging from 1.88–1.95 Å. There are fourteen inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Cl1- and two F1- atoms. The Cl–Cl bond length is 2.00 Å. There are one shorter (3.34 Å) and one longer (3.46 Å) Cl–F bond lengths. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Cl1- and two F1- atoms. The Cl–Cl bond length is 2.00 Å. There are one shorter (3.30 Å) and one longer (3.50 Å) Cl–F bond lengths. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Cl1- and one F1- atom. The Cl–F bond length is 3.20 Å. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Sb5+ and one Cl1- atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one Cl1- and two F1- atoms. The Cl–Cl bond length is 2.01 Å. There are one shorter (3.31 Å) and one longer (3.33 Å) Cl–F bond lengths. In the seventh Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the ninth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cl1- atom. In the tenth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Cl1- and one F1- atom. The Cl–Cl bond length is 2.02 Å. The Cl–F bond length is 3.39 Å. In the eleventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the twelfth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Cl1- atom. In the thirteenth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourteenth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ and two Cl1- atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ and one Cl1- 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+ and one Cl1- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ and one Cl1- atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb5+ and two Cl1- atoms. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ and one Cl1- atom.

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