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Materials Data on Re3(SBr)7 by Materials Project

Re3(SBr)7 is alpha La structured and crystallizes in the trigonal P31c space group. The structure is zero-dimensional and consists of four Re3(SBr)7 clusters. Re7+ is bonded to five S2- and two Br1- atoms to form distorted face-sharing ReS5Br2 pentagonal bipyramids. There are a spread of Re–S bond distances ranging from 2.36–2.47 Å. There are one shorter (2.55 Å) and one longer (2.57 Å) Re–Br bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Re7+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Re7+ and one S2- atom. The S–S bond length is 2.08 Å. In the third S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Re7+, one S2-, and one Br1- atom. The S–Br bond length is 2.81 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Re7+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Re7+ atom. In the third Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent S2- atoms.

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Materials Data on K2ReH9 by Materials Project

K2ReH9 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to ten H+0.56- atoms. There are eight shorter (2.70 Å) and two longer (2.92 Å) K–H bond lengths. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to fourteen H+0.56- atoms. There are a spread of K–H bond distances ranging from 2.92–3.06 Å. There are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a 9-coordinate geometry to nine H+0.56- atoms. There is three shorter (1.68 Å) and six longer (1.71 Å) Re–H bond length. In the second Re3+ site, Re3+ is bonded in a 9-coordinate geometry to nine H+0.56- atoms. There is three shorter (1.69 Å) and six longer (1.71 Å) Re–H bond length. There are four inequivalent H+0.56- sites. In the first H+0.56- site, H+0.56- is bonded in a 1-coordinate geometry to three K1+ and one Re3+ atom. In the second H+0.56- site, H+0.56- is bonded in a single-bond geometry to two equivalent K1+ and one Re3+ atom. In the third H+0.56- site, H+0.56- is bonded in a 4-coordinate geometry to three K1+ and one Re3+ atom. In the fourth H+0.56- site, H+0.56- is bonded in a single-bond geometry to two equivalent K1+ and one Re3+ atom.

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Materials Data on Re2PCl13 by Materials Project

Re2Cl9PCl4 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two [pcl4]+1 molecules and two Re2Cl9 clusters. In each Re2Cl9 cluster, there are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded to six Cl1- atoms to form face-sharing ReCl6 octahedra. There are a spread of Re–Cl bond distances ranging from 2.32–2.44 Å. In the second Re4+ site, Re4+ is bonded to six Cl1- atoms to form face-sharing ReCl6 octahedra. There are a spread of Re–Cl bond distances ranging from 2.31–2.44 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Re4+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Re4+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom.

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Materials Data on Sr7Re4O19 by Materials Project

Sr7Re4O19 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share corners with three equivalent SrO12 cuboctahedra, corners with three ReO6 octahedra, faces with five SrO12 cuboctahedra, and faces with four ReO6 octahedra. The corner-sharing octahedra tilt angles range from 17–18°. There are a spread of Sr–O bond distances ranging from 2.63–3.08 Å. In the second Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–3.01 Å. In the third Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with two equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with six ReO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.73–2.82 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.93 Å. There are two inequivalent Re6+ sites. In the first Re6+ site, Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent SrO12 cuboctahedra, corners with three ReO6 octahedra, and faces with four SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are a spread of Re–O bond distances ranging from 1.89–1.99 Å. In the second Re6+ site, Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share a cornercorner with one SrO12 cuboctahedra, corners with two equivalent ReO6 octahedra, and faces with three SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 9°. There are a spread of Re–O bond distances ranging from 1.85–2.02 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Sr2+ and one Re6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Sr2+ and one Re6+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to four Sr2+ and two equivalent Re6+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four Sr2+ and one Re6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four Sr2+ and one Re6+ atom. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Re6+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to four Sr2+ and two Re6+ atoms.

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Materials Data on K2Re3CS5N by Materials Project

K2Re3CNS5 crystallizes in the orthorhombic Pmna space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to two equivalent N3- and three S2- atoms to form distorted KS3N2 trigonal bipyramids that share corners with six equivalent ReS5 square pyramids and corners with two equivalent KS3N2 trigonal bipyramids. Both K–N bond lengths are 2.98 Å. There are one shorter (3.14 Å) and two longer (3.30 Å) K–S bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to two equivalent N3- and three S2- atoms. There are one shorter (2.91 Å) and one longer (3.03 Å) K–N bond lengths. There are one shorter (3.01 Å) and two longer (3.45 Å) K–S bond lengths. There are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Re–S bond distances ranging from 2.39–2.44 Å. In the second Re3+ site, Re3+ is bonded to five S2- atoms to form ReS5 square pyramids that share a cornercorner with one ReS5 square pyramid, corners with three equivalent KS3N2 trigonal bipyramids, and edges with two equivalent ReS5 square pyramids. There are a spread of Re–S bond distances ranging from 2.42–2.47 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.19 Å. N3- is bonded in a distorted single-bond geometry to four K1+ and one C2+ atom. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one K1+ and three Re3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three Re3+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three K1+ and two equivalent Re3+ atoms. In the fourth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one K1+ and three Re3+ atoms.

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Materials Data on RbReCl4 by Materials Project

RbReCl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.32–3.64 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to nine Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.33–3.74 Å. There are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded to five Cl1- atoms to form corner-sharing ReCl5 square pyramids. There are a spread of Re–Cl bond distances ranging from 2.32–2.62 Å. In the second Re3+ site, Re3+ is bonded to five Cl1- atoms to form corner-sharing ReCl5 square pyramids. There are a spread of Re–Cl bond distances ranging from 2.34–2.61 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Rb1+ and one Re3+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Re3+ atoms. In the third Cl1- site, Cl1- is bonded to three Rb1+ and one Re3+ atom to form a mixture of distorted edge and corner-sharing ClRb3Re tetrahedra. In the fourth Cl1- site, Cl1- is bonded in a linear geometry to one Rb1+ and one Re3+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two Rb1+ and one Re3+ atom. In the sixth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two Re3+ atoms.

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Materials Data on ReTeS by Materials Project

ReTeS crystallizes in the cubic F-43m space group. The structure is three-dimensional. Re4+ is bonded in a 6-coordinate geometry to three equivalent Te2- and three equivalent S2- atoms. All Re–Te bond lengths are 2.83 Å. All Re–S bond lengths are 2.35 Å. Te2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Re4+ atoms. S2- is bonded in a 12-coordinate geometry to three equivalent Re4+ atoms.

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Materials Data on ReSe2 by Materials Project

ReSe2 is Molybdenite-like structured and crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one ReSe2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded to six Se2- atoms to form distorted edge-sharing ReSe6 octahedra. There are a spread of Re–Se bond distances ranging from 2.45–2.66 Å. In the second Re4+ site, Re4+ is bonded to six Se2- atoms to form distorted edge-sharing ReSe6 octahedra. There are a spread of Re–Se bond distances ranging from 2.49–2.62 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three Re4+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three Re4+ atoms. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to three Re4+ atoms. In the fourth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three Re4+ atoms.

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Materials Data on ReSbOF9 by Materials Project

ReSbOF9 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two ReSbOF9 clusters. Re6+ is bonded in a 6-coordinate geometry to one O2- and five F1- atoms. The Re–O bond length is 1.67 Å. There are a spread of Re–F bond distances ranging from 1.86–2.36 Å. Sb5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.88–2.13 Å. O2- is bonded in a single-bond geometry to one Re6+ atom. There are nine 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 Re6+ 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 distorted bent 150 degrees geometry to one Re6+ and 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 Re6+ atom. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Re6+ and one Sb5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.

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Materials Data on Sc3Re2Si3 by Materials Project

Sc3Re2Si3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Sc2+ sites. In the first Sc2+ site, Sc2+ is bonded in a distorted pentagonal planar geometry to five Si4- atoms. There are a spread of Sc–Si bond distances ranging from 2.74–2.91 Å. In the second Sc2+ site, Sc2+ is bonded to six Si4- atoms to form ScSi6 pentagonal pyramids that share corners with two equivalent ScSi6 pentagonal pyramids, a cornercorner with one ReSi4 tetrahedra, edges with three equivalent ScSi6 pentagonal pyramids, an edgeedge with one ReSi4 tetrahedra, and a faceface with one ReSi4 tetrahedra. There are a spread of Sc–Si bond distances ranging from 2.75–2.95 Å. In the third Sc2+ site, Sc2+ is bonded in a 5-coordinate geometry to six Si4- atoms. There are a spread of Sc–Si bond distances ranging from 2.75–3.33 Å. There are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded to four Si4- atoms to form distorted ReSi4 tetrahedra that share a cornercorner with one ScSi6 pentagonal pyramid, an edgeedge with one ScSi6 pentagonal pyramid, edges with two equivalent ReSi4 tetrahedra, and a faceface with one ScSi6 pentagonal pyramid. There are a spread of Re–Si bond distances ranging from 2.40–2.46 Å. In the second Re3+ site, Re3+ is bonded in a rectangular see-saw-like geometry to four Si4- atoms. There are a spread of Re–Si bond distances ranging from 2.47–2.59 Å. There are four inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to six Sc2+, two equivalent Re3+, and two equivalent Si4- atoms. There are one shorter (2.58 Å) and one longer (2.70 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to six Sc2+, two equivalent Re3+, and two equivalent Si4- atoms. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to five Sc2+ and four Re3+ atoms. In the fourth Si4- site, Si4- is bonded in a 8-coordinate geometry to six Sc2+ and two equivalent Re3+ atoms.

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Materials Data on LiRe(OF2)2 by Materials Project

LiRe(OF2)2 crystallizes in the tetragonal P-42_1m space group. The structure is two-dimensional and consists of one LiRe(OF2)2 sheet oriented in the (0, 0, 1) direction. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent ReO2F4 octahedra, and an edgeedge with one ReO2F4 octahedra. The corner-sharing octahedra tilt angles range from 33–55°. There are a spread of Li–F bond distances ranging from 2.05–2.16 Å. Re7+ is bonded to two equivalent O2- and four F1- atoms to form distorted ReO2F4 octahedra that share corners with four equivalent LiF6 octahedra and an edgeedge with one LiF6 octahedra. The corner-sharing octahedra tilt angles range from 33–49°. Both Re–O bond lengths are 1.71 Å. There is two shorter (1.90 Å) and two longer (2.05 Å) Re–F bond length. O2- is bonded in a single-bond geometry to one Re7+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Re7+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Re7+ atom.

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Materials Data on RePCl8O by Materials Project

RePOCl8 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four RePOCl8 clusters. Re5+ is bonded to one O2- and five Cl1- atoms to form ReCl5O octahedra that share a cornercorner with one PCl3O tetrahedra. The Re–O bond length is 2.17 Å. There are a spread of Re–Cl bond distances ranging from 2.25–2.35 Å. P5+ is bonded to one O2- and three Cl1- atoms to form PCl3O tetrahedra that share a cornercorner with one ReCl5O octahedra. The corner-sharing octahedral tilt angles are 36°. The P–O bond length is 1.50 Å. All P–Cl bond lengths are 1.98 Å. O2- is bonded in a distorted bent 150 degrees geometry to one Re5+ and one P5+ atom. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Re5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re5+ atom.

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Materials Data on ReSbOF10 by Materials Project

Re2O2F9Sb2F11 is Tetraauricupride structured and crystallizes in the monoclinic P2 space group. The structure is zero-dimensional and consists of one Re2O2F9 cluster and one Sb2F11 cluster. In the Re2O2F9 cluster, Re7+ is bonded to one O2- and five F1- atoms to form distorted corner-sharing ReOF5 octahedra. The corner-sharing octahedral tilt angles are 8°. The Re–O bond length is 1.68 Å. There are a spread of Re–F bond distances ranging from 1.84–2.13 Å. O2- is bonded in a single-bond geometry to one Re7+ atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Re7+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the Sb2F11 cluster, Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 2°. There is five shorter (1.90 Å) and one longer (2.08 Å) Sb–F bond length. 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 linear geometry to two equivalent Sb5+ atoms. 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 La5MgRe3O16 by Materials Project

La5Re3MgO16 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six ReO6 octahedra. The corner-sharing octahedra tilt angles range from 22–32°. There are a spread of Mg–O bond distances ranging from 2.08–2.14 Å. There are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.93 Å. In the second La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.59 Å. In the third La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.60 Å. There are two inequivalent Re5+ sites. In the first Re5+ site, Re5+ is bonded to six O2- atoms to form ReO6 octahedra that share a cornercorner with one MgO6 octahedra and an edgeedge with one ReO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Re–O bond distances ranging from 1.93–2.10 Å. In the second Re5+ site, Re5+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with four equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 22–30°. There are a spread of Re–O bond distances ranging from 1.93–2.04 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two equivalent Re5+ atoms. In the second O2- site, O2- is bonded to three La3+ and one Re5+ atom to form corner-sharing OLa3Re tetrahedra. In the third O2- site, O2- is bonded to one Mg2+, two La3+, and one Re5+ atom to form distorted corner-sharing OLa2MgRe tetrahedra. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two La3+ and one Re5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Re5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Re5+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+, two equivalent La3+, and one Re5+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+, two La3+, and one Re5+ atom.

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Materials Data on KRe2O4F7 by Materials Project

KRe2O4F7 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of two KRe2O4F7 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 8-coordinate geometry to two equivalent O2- and six F1- atoms. Both K–O bond lengths are 3.07 Å. There are a spread of K–F bond distances ranging from 2.78–2.92 Å. Re7+ is bonded to two O2- and four F1- atoms to form distorted corner-sharing ReO2F4 octahedra. The corner-sharing octahedral tilt angles are 37°. There is one shorter (1.71 Å) and one longer (1.72 Å) Re–O bond length. There are a spread of Re–F bond distances ranging from 1.89–2.20 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one K1+ and one Re7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one Re7+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Re7+ atoms. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one Re7+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Re7+ atom.

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Materials Data on K2ReCl5O by Materials Project

K2ReOCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.30–3.62 Å. Re5+ is bonded in a distorted octahedral geometry to one O2- and five Cl1- atoms. The Re–O bond length is 1.70 Å. There are a spread of Re–Cl bond distances ranging from 2.39–2.53 Å. O2- is bonded in a single-bond geometry to one Re5+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Re5+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Re5+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Re5+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Re5+ atom.

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Materials Data on ReO2F3 by Materials Project

ReO2F3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two ReO2F3 ribbons oriented in the (0, 1, 0) direction. Re7+ is bonded to two O2- and four F1- atoms to form distorted corner-sharing ReO2F4 octahedra. The corner-sharing octahedral tilt angles are 31°. Both Re–O bond lengths are 1.70 Å. There are a spread of Re–F bond distances ranging from 1.86–2.17 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Re7+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom.

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DOE OSTI2020

Materials Data on Re2SCl12 by Materials Project

Re2Cl9SCl3 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two Re2Cl9 clusters and two SCl3 clusters. In each Re2Cl9 cluster, there are two inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded to six Cl1- atoms to form face-sharing ReCl6 octahedra. There are three shorter (2.34 Å) and three longer (2.41 Å) Re–Cl bond lengths. In the second Re7+ site, Re7+ is bonded to six Cl1- atoms to form face-sharing ReCl6 octahedra. There are three shorter (2.30 Å) and three longer (2.45 Å) Re–Cl bond lengths. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Re7+ atom. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Re7+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Re7+ atom. In the sixth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Re7+ atoms. In each SCl3 cluster, S2- is bonded in a 3-coordinate geometry to three Cl1- atoms. There are one shorter (2.02 Å) and two longer (2.03 Å) S–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one S2- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one S2- atom.

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