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DOE OSTI2020

Materials Data on K4Re2Cl10O by Materials Project

K4Re2OCl10 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a body-centered cubic geometry to eight equivalent Cl1- atoms. All K–Cl bond lengths are 3.24 Å. In the second K1+ site, K1+ is bonded to twelve Cl1- atoms to form KCl12 cuboctahedra that share corners with four equivalent KCl12 cuboctahedra, faces with four equivalent KCl12 cuboctahedra, and faces with four equivalent ReCl5O octahedra. There are eight shorter (3.55 Å) and four longer (3.59 Å) K–Cl bond lengths. Re4+ is bonded to one O2- and five Cl1- atoms to form ReCl5O octahedra that share a cornercorner with one ReCl5O octahedra and faces with four equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. The Re–O bond length is 1.86 Å. There are four shorter (2.41 Å) and one longer (2.42 Å) Re–Cl bond lengths. O2- is bonded in a linear geometry to two equivalent Re4+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Re4+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Re4+ atom.

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Materials Data on CsReOF6 by Materials Project

CsReOF6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 11-coordinate geometry to one O2- and ten F1- atoms. The Cs–O bond length is 3.46 Å. There are a spread of Cs–F bond distances ranging from 3.13–3.62 Å. Re7+ is bonded in a pentagonal bipyramidal geometry to one O2- and six F1- atoms. The Re–O bond length is 1.71 Å. There are a spread of Re–F bond distances ranging from 1.93–1.96 Å. O2- is bonded in a single-bond geometry to one Cs1+ and one Re7+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Re7+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Re7+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Re7+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Re7+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Re7+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Re7+ atom.

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Materials Data on ReSb(OF4)2 by Materials Project

ReSb(OF4)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two ReSb(OF4)2 ribbons oriented in the (0, 1, 0) direction. Re7+ is bonded in a 6-coordinate geometry to two O2- and four F1- atoms. Both Re–O bond lengths are 1.70 Å. There are a spread of Re–F bond distances ranging from 1.85–2.26 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.89–2.00 Å. In the second Sb5+ site, Sb5+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.89 Å) and two longer (2.01 Å) Sb–F bond length. 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 eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Re7+ and 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 bent 150 degrees geometry to one Re7+ 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 Re7+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.

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Materials Data on RbReSO3 by Materials Project

RbReSO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to three equivalent S2- and seven O2- atoms. There are a spread of Rb–S bond distances ranging from 3.68–3.83 Å. There are a spread of Rb–O bond distances ranging from 2.96–3.43 Å. Re7+ is bonded in a tetrahedral geometry to one S2- and three O2- atoms. The Re–S bond length is 2.16 Å. There is one shorter (1.75 Å) and two longer (1.76 Å) Re–O bond length. S2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Re7+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Re7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Re7+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Re7+ atom.

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Materials Data on CsReCl4 by Materials Project

CsReCl4 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first 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 3.46–4.04 Å. In the second 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 3.43–3.95 Å. In the third 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 3.56–3.99 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 2.33–2.61 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 2.33–2.61 Å. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three Cs1+ and two equivalent Re3+ atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three Cs1+ and one Re3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Cs1+ and one Re3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two Cs1+ and one Re3+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to three Cs1+ and one Re3+ atom. In the sixth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three Cs1+ and one Re3+ atom. In the seventh Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two Cs1+ and two Re3+ atoms. In the eighth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Cs1+ and one Re3+ atom.

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Materials Data on ReNCl4 by Materials Project

ReNCl4 crystallizes in the tetragonal I4 space group. The structure is one-dimensional and consists of two ReNCl4 ribbons oriented in the (0, 0, 1) direction. Re7+ is bonded to two equivalent N3- and four equivalent Cl1- atoms to form distorted corner-sharing ReN2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. There are one shorter (1.69 Å) and one longer (2.42 Å) Re–N bond lengths. All Re–Cl bond lengths are 2.31 Å. N3- is bonded in a distorted linear geometry to two equivalent Re7+ atoms. Cl1- is bonded in a single-bond geometry to one Re7+ atom.

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Materials Data on CsRe(Cl2O)2 by Materials Project

CsRe(OCl2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 11-coordinate geometry to one O2- and ten Cl1- atoms. The Cs–O bond length is 3.60 Å. There are a spread of Cs–Cl bond distances ranging from 3.58–4.07 Å. Re7+ is bonded in a 6-coordinate geometry to two O2- and four Cl1- atoms. There is one shorter (1.72 Å) and one longer (1.73 Å) Re–O bond length. There are a spread of Re–Cl bond distances ranging from 2.32–2.51 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cs1+ 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 Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Re7+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to two equivalent Cs1+ and one Re7+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent Cs1+ and one Re7+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent Cs1+ and one Re7+ atom.

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Materials Data on ReS2 by Materials Project

ReS2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two ReS2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded in a 2-coordinate geometry to three S2- atoms. There are a spread of Re–S bond distances ranging from 1.90–2.48 Å. In the second Re4+ site, Re4+ is bonded in a 2-coordinate geometry to six S2- atoms. There are a spread of Re–S bond distances ranging from 1.98–2.95 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to three Re4+ atoms. In the second S2- site, S2- is bonded in a 1-coordinate geometry to two Re4+ atoms. In the third S2- site, S2- is bonded in a 2-coordinate geometry to two Re4+ atoms. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Re4+ atoms.

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Materials Data on ReP(Cl2O)3 by Materials Project

ReP(OCl2)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ReP(OCl2)3 clusters. Re7+ is bonded in a 2-coordinate geometry to three O2- and three Cl1- atoms. There are a spread of Re–O bond distances ranging from 1.71–2.43 Å. There are a spread of Re–Cl bond distances ranging from 2.30–2.39 Å. P5+ is bonded in a tetrahedral geometry to one O2- and three Cl1- atoms. The P–O bond length is 1.48 Å. All P–Cl bond lengths are 1.99 Å. There are three 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 distorted single-bond geometry to one Re7+ and one P5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Re7+ 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 Re7+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ 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 Re7+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom.

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Materials Data on ReI3 by Materials Project

ReI3 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of one ReI3 ribbon oriented in the (0, 1, 0) direction. there are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a see-saw-like geometry to four I1- atoms. There are a spread of Re–I bond distances ranging from 2.60–2.77 Å. In the second Re3+ site, Re3+ is bonded to five I1- atoms to form a mixture of distorted edge and corner-sharing ReI5 square pyramids. There are a spread of Re–I bond distances ranging from 2.65–3.01 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Re3+ atom. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Re3+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one Re3+ atom. In the fourth I1- site, I1- is bonded in a 12-coordinate geometry to two Re3+ atoms. In the fifth I1- site, I1- is bonded in a single-bond geometry to one Re3+ atom. In the sixth I1- site, I1- is bonded in a 11-coordinate geometry to two equivalent Re3+ atoms.

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Materials Data on RbRe3Br10 by Materials Project

RbRe3Br10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.43–3.90 Å. There are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded to five Br1- atoms to form a mixture of distorted edge and corner-sharing ReBr5 square pyramids. There are a spread of Re–Br bond distances ranging from 2.45–2.93 Å. In the second Re3+ site, Re3+ is bonded to five Br1- atoms to form corner-sharing ReBr5 square pyramids. There are a spread of Re–Br bond distances ranging from 2.50–2.76 Å. There are seven inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and one Re3+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Re3+ atom. In the third Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Rb1+ and one Re3+ atom. In the fourth Br1- site, Br1- is bonded in a 3-coordinate geometry to two Re3+ atoms. In the fifth Br1- site, Br1- is bonded in a distorted water-like geometry to two equivalent Re3+ atoms. In the sixth Br1- site, Br1- is bonded in a 12-coordinate geometry to two equivalent Re3+ atoms. In the seventh Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Re3+ atom.

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Materials Data on ReCl3O2 by Materials Project

ReO2Cl3 is Tungsten structured and crystallizes in the orthorhombic Pnnm space group. The structure is zero-dimensional and consists of two ReO2Cl3 clusters. Re7+ is bonded in a 2-coordinate geometry to two equivalent O2- and four Cl1- atoms. Both Re–O bond lengths are 1.71 Å. There are two shorter (2.29 Å) and two longer (2.62 Å) Re–Cl bond lengths. O2- is bonded in a single-bond geometry to one Re7+ atom. There are three 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 water-like geometry to two equivalent Re7+ atoms.

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Materials Data on La(ReSi)2 by Materials Project

La(ReSi)2 crystallizes in the orthorhombic Imma space group. The structure is two-dimensional and consists of two La(ReSi)2 sheets oriented in the (0, 0, 1) direction. La2+ is bonded in a distorted q4 geometry to ten Si4- atoms. There are four shorter (3.22 Å) and six longer (3.23 Å) La–Si bond lengths. There are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a bent 120 degrees geometry to two equivalent Si4- atoms. Both Re–Si bond lengths are 2.53 Å. In the second Re3+ site, Re3+ is bonded in a water-like geometry to two equivalent Si4- atoms. Both Re–Si bond lengths are 2.53 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent La2+ and three Si4- atoms. There are two shorter (2.41 Å) and one longer (2.49 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent La2+, four Re3+, and one Si4- atom.

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Materials Data on Re2C3I4O3 by Materials Project

Re2COI4(CO)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of sixteen formaldehyde molecules and two Re2COI4 ribbons oriented in the (0, 0, 1) direction. In each Re2COI4 ribbon, there are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a distorted square co-planar geometry to four I1- atoms. There are a spread of Re–I bond distances ranging from 2.68–2.76 Å. In the second Re3+ site, Re3+ is bonded in a 3-coordinate geometry to three I1- atoms. There are a spread of Re–I bond distances ranging from 2.84–2.87 Å. C+1.33+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.17 Å. O2- is bonded in a single-bond geometry to one C+1.33+ and two I1- atoms. There are one shorter (3.54 Å) and one longer (3.60 Å) O–I bond lengths. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to two Re3+ and one O2- atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to one Re3+ atom. In the third I1- site, I1- is bonded in an L-shaped geometry to two Re3+ atoms. In the fourth I1- site, I1- is bonded in a 2-coordinate geometry to two Re3+ and one O2- atom.

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Materials Data on ReC4IO4 by Materials Project

ReI(CO)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of thirty-two formaldehyde molecules and four ReI clusters. In each ReI cluster, there are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.87 Å) and one longer (2.88 Å) Re–I bond lengths. In the second Re3+ site, Re3+ is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.86 Å) and one longer (2.87 Å) Re–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two Re3+ atoms. In the second I1- site, I1- is bonded in a distorted water-like geometry to two Re3+ atoms.

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Materials Data on Re2H4O9 by Materials Project

Re2H4O9 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of one Re2H4O9 ribbon oriented in the (0, 1, 0) direction. there are two inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. There are a spread of Re–O bond distances ranging from 1.76–2.11 Å. In the second Re7+ site, Re7+ is bonded to four O2- atoms to form corner-sharing ReO4 tetrahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Re–O bond distances ranging from 1.73–1.79 Å. There are four 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 0.98 Å. In the second 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 third H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.72 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two Re7+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Re7+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to one Re7+ and one H1+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re7+ and one H1+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one Re7+ and one H1+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Re7+ and one H1+ atom.

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Materials Data on Re2H4O9 by Materials Project

Re2H4O9 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one Re2H4O9 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded to six O2- atoms to form distorted corner-sharing ReO6 octahedra. There are a spread of Re–O bond distances ranging from 1.71–2.17 Å. In the second Re7+ site, Re7+ is bonded to four O2- atoms to form corner-sharing ReO4 tetrahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of Re–O bond distances ranging from 1.73–1.79 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.55 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.65 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.55 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two Re7+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re7+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Re7+ and one H1+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Re7+ and one H1+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Re7+ and two H1+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Re7+ and two H1+ atoms.

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Materials Data on ReH3O5 by Materials Project

H(ReO4)H2O crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two H(ReO4)H2O clusters. In one of the H(ReO4)H2O clusters, Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Re–O bond distances ranging from 1.73–1.82 Å. There are three 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 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.12 Å) and one longer (1.32 Å) H–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three H1+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re7+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In one of the H(ReO4)H2O clusters, Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Re–O bond distances ranging from 1.74–1.79 Å. There are three 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 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.16 Å) and one longer (1.22 Å) H–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three H1+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re7+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom.

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