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Materials Data on Rb6C5 by Materials Project

Rb6C5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to five C+1.20- atoms to form a mixture of distorted edge and corner-sharing RbC5 trigonal bipyramids. There are one shorter (2.99 Å) and four longer (3.18 Å) Rb–C bond lengths. In the second Rb1+ site, Rb1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent C+1.20- atoms. All Rb–C bond lengths are 3.16 Å. There are two inequivalent C+1.20- sites. In the first C+1.20- site, C+1.20- is bonded to six Rb1+ atoms to form a mixture of face, edge, and corner-sharing CRb6 octahedra. The corner-sharing octahedra tilt angles range from 34–40°. In the second C+1.20- site, C+1.20- is bonded in a trigonal planar geometry to three equivalent Rb1+ atoms.

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Materials Data on Rb2SO4 by Materials Project

Rb2SO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.30 Å. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.35 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.49 Å) and three longer (1.50 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one S6+ atom.

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Materials Data on Rb3NbS4 by Materials Project

Rb3NbS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.38–3.75 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.33–3.96 Å. Nb5+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.29 Å) and two longer (2.30 Å) Nb–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Rb1+ and one Nb5+ atom to form distorted edge-sharing SRb5Nb octahedra. In the second S2- site, S2- is bonded in a 1-coordinate geometry to six Rb1+ and one Nb5+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to five Rb1+ and one Nb5+ atom.

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Materials Data on Rb4Cl2O by Materials Project

Rb4OCl2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Rb1+ is bonded in a 5-coordinate geometry to one O2- and four equivalent Cl1- atoms. The Rb–O bond length is 2.75 Å. There are a spread of Rb–Cl bond distances ranging from 3.20–3.59 Å. O2- is bonded in a square co-planar geometry to four equivalent Rb1+ atoms. Cl1- is bonded in a 8-coordinate geometry to eight equivalent Rb1+ atoms.

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Materials Data on Rb2Te by Materials Project

Rb2Te crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six equivalent Te2- atoms to form RbTe6 octahedra that share corners with twelve equivalent RbTe6 octahedra, corners with twelve equivalent RbTe5 trigonal bipyramids, edges with six equivalent RbTe6 octahedra, faces with two equivalent RbTe6 octahedra, and faces with six equivalent RbTe5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of Rb–Te bond distances ranging from 4.08–4.10 Å. In the second Rb1+ site, Rb1+ is bonded to five equivalent Te2- atoms to form RbTe5 trigonal bipyramids that share corners with twelve equivalent RbTe6 octahedra, corners with eight equivalent RbTe5 trigonal bipyramids, edges with six equivalent RbTe5 trigonal bipyramids, and faces with six equivalent RbTe6 octahedra. The corner-sharing octahedra tilt angles range from 30–60°. There are a spread of Rb–Te bond distances ranging from 3.54–4.09 Å. Te2- is bonded in a 11-coordinate geometry to eleven Rb1+ atoms.

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Materials Data on KRb2ZrOF5 by Materials Project

Rb2KZrOF5 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Rb1+ is bonded to two equivalent O2- and ten F1- atoms to form RbO2F10 cuboctahedra that share corners with twelve equivalent RbO2F10 cuboctahedra, faces with six equivalent RbO2F10 cuboctahedra, faces with four equivalent KOF5 octahedra, and faces with four equivalent ZrOF5 octahedra. Both Rb–O bond lengths are 3.30 Å. There are a spread of Rb–F bond distances ranging from 3.25–3.37 Å. K1+ is bonded to one O2- and five F1- atoms to form KOF5 octahedra that share corners with six equivalent ZrOF5 octahedra and faces with eight equivalent RbO2F10 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–7°. The K–O bond length is 2.61 Å. There are four shorter (2.56 Å) and one longer (2.64 Å) K–F bond lengths. Zr4+ is bonded to one O2- and five F1- atoms to form ZrOF5 octahedra that share corners with six equivalent KOF5 octahedra and faces with eight equivalent RbO2F10 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–7°. The Zr–O bond length is 1.89 Å. There are four shorter (2.09 Å) and one longer (2.25 Å) Zr–F bond lengths. O2- is bonded in a 2-coordinate geometry to four equivalent Rb1+, one K1+, and one Zr4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one K1+, and one Zr4+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one K1+, and one Zr4+ atom.

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Materials Data on Rb2CO3 by Materials Project

Rb2CO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six O2- atoms to form face-sharing RbO6 octahedra. There are a spread of Rb–O bond distances ranging from 2.82–3.02 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 3.01–3.27 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.30 Å) and two longer (1.31 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one C4+ atom.

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Materials Data on Cs2RbZrOF5 by Materials Project

Cs2RbZrOF5 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Cs1+ is bonded to two equivalent O2- and ten F1- atoms to form CsO2F10 cuboctahedra that share corners with twelve equivalent CsO2F10 cuboctahedra, faces with six equivalent CsO2F10 cuboctahedra, faces with four equivalent RbOF5 octahedra, and faces with four equivalent ZrOF5 octahedra. Both Cs–O bond lengths are 3.43 Å. There are a spread of Cs–F bond distances ranging from 3.39–3.48 Å. Rb1+ is bonded to one O2- and five F1- atoms to form RbOF5 octahedra that share corners with six equivalent ZrOF5 octahedra and faces with eight equivalent CsO2F10 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Rb–O bond length is 2.77 Å. There are four shorter (2.73 Å) and one longer (2.79 Å) Rb–F bond lengths. Zr4+ is bonded to one O2- and five F1- atoms to form ZrOF5 octahedra that share corners with six equivalent RbOF5 octahedra and faces with eight equivalent CsO2F10 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Zr–O bond length is 1.89 Å. There are four shorter (2.10 Å) and one longer (2.25 Å) Zr–F bond lengths. O2- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Rb1+, and one Zr4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to four equivalent Cs1+, one Rb1+, and one Zr4+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Rb1+, and one Zr4+ atom.

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Materials Data on Rb3AuO by Materials Project

Rb3AuO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded in a linear geometry to four equivalent Au1- and two equivalent O2- atoms. All Rb–Au bond lengths are 3.97 Å. Both Rb–O bond lengths are 2.81 Å. Au1- is bonded to twelve equivalent Rb1+ atoms to form AuRb12 cuboctahedra that share corners with twelve equivalent AuRb12 cuboctahedra, faces with six equivalent AuRb12 cuboctahedra, and faces with eight equivalent ORb6 octahedra. O2- is bonded to six equivalent Rb1+ atoms to form ORb6 octahedra that share corners with six equivalent ORb6 octahedra and faces with eight equivalent AuRb12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Rb2SeO4 by Materials Project

Rb2SeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.48 Å. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.52 Å. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one Se6+ atom.

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Materials Data on RbAlF4 by Materials Project

RbAlF4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted body-centered cubic geometry to eight equivalent F1- atoms. There are four shorter (2.94 Å) and four longer (3.01 Å) Rb–F bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight equivalent F1- atoms. There are four shorter (2.96 Å) and four longer (2.99 Å) Rb–F bond lengths. Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 15–18°. There are a spread of Al–F bond distances ranging from 1.78–1.87 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to four Rb1+ and one Al3+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Al3+ atoms.

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Materials Data on RbZnF3 by Materials Project

RbZnF3 is (Cubic) Perovskite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to twelve F1- atoms to form RbF12 cuboctahedra that share corners with nine RbF12 cuboctahedra, corners with three equivalent ZnF6 octahedra, faces with seven RbF12 cuboctahedra, and faces with seven ZnF6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are a spread of Rb–F bond distances ranging from 2.97–3.13 Å. In the second Rb1+ site, Rb1+ is bonded to twelve F1- atoms to form RbF12 cuboctahedra that share corners with twelve RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, and faces with eight ZnF6 octahedra. There are six shorter (3.01 Å) and six longer (3.04 Å) Rb–F bond lengths. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six F1- atoms to form ZnF6 octahedra that share corners with three equivalent RbF12 cuboctahedra, corners with three equivalent ZnF6 octahedra, faces with seven RbF12 cuboctahedra, and a faceface with one ZnF6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are three shorter (2.06 Å) and three longer (2.10 Å) Zn–F bond lengths. In the second Zn2+ site, Zn2+ is bonded to six equivalent F1- atoms to form ZnF6 octahedra that share corners with six equivalent ZnF6 octahedra and faces with eight RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. All Zn–F bond lengths are 2.09 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four Rb1+ and two Zn2+ atoms. In the second F1- site, F1- is bonded in a distorted L-shaped geometry to four Rb1+ and two equivalent Zn2+ atoms.

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Materials Data on Rb2Pb4O7 by Materials Project

Rb2Pb4O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.36 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.21 Å. There are four inequivalent Pb3+ sites. In the first Pb3+ site, Pb3+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.18–2.31 Å. In the second Pb3+ site, Pb3+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.18–2.32 Å. In the third Pb3+ site, Pb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.19–2.30 Å. In the fourth Pb3+ site, Pb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.19–2.29 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to two Rb1+ and three Pb3+ atoms to form distorted ORb2Pb3 trigonal bipyramids that share edges with three equivalent ORb3Pb2 square pyramids, an edgeedge with one ORb2Pb2 tetrahedra, and edges with four ORb2Pb3 trigonal bipyramids. In the second O2- site, O2- is bonded to two Rb1+ and three Pb3+ atoms to form distorted ORb2Pb3 trigonal bipyramids that share corners with four equivalent ORb3Pb2 square pyramids, corners with two equivalent ORb2Pb2 tetrahedra, an edgeedge with one ORb3Pb2 square pyramid, and edges with four ORb2Pb3 trigonal bipyramids. In the third O2- site, O2- is bonded to three Rb1+ and two Pb3+ atoms to form distorted ORb3Pb2 square pyramids that share a cornercorner with one ORb2Pb2 tetrahedra, corners with four equivalent ORb2Pb3 trigonal bipyramids, an edgeedge with one ORb3Pb2 square pyramid, an edgeedge with one ORb2Pb2 tetrahedra, and edges with four ORb2Pb3 trigonal bipyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Rb1+ and two Pb3+ atoms. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to three Pb3+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Pb3+ atoms. In the seventh O2- site, O2- is bonded to two Rb1+ and two Pb3+ atoms to form distorted ORb2Pb2 tetrahedra that share a cornercorner with one ORb3Pb2 square pyramid, corners with two equivalent ORb2Pb3 trigonal bipyramids, an edgeedge with one ORb3Pb2 square pyramid, and an edgeedge with one ORb2Pb3 trigonal bipyramid.

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Materials Data on Rb2Na3InO4 by Materials Project

Rb2Na3InO4 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 3.08–3.27 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.06 Å. There are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 tetrahedra that share corners with two equivalent NaO4 tetrahedra, corners with two equivalent InO4 tetrahedra, corners with two equivalent NaO4 trigonal pyramids, an edgeedge with one NaO4 tetrahedra, an edgeedge with one InO4 tetrahedra, and an edgeedge with one NaO4 trigonal pyramid. There are a spread of Na–O bond distances ranging from 2.37–2.43 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 trigonal pyramids that share corners with two equivalent InO4 tetrahedra, corners with four equivalent NaO4 tetrahedra, an edgeedge with one InO4 tetrahedra, and edges with two equivalent NaO4 tetrahedra. There are two shorter (2.27 Å) and two longer (2.43 Å) Na–O bond lengths. In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share corners with four equivalent NaO4 tetrahedra, corners with two equivalent NaO4 trigonal pyramids, edges with two equivalent NaO4 tetrahedra, and an edgeedge with one NaO4 trigonal pyramid. There are a spread of In–O bond distances ranging from 2.10–2.14 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Rb1+, three Na1+, and one In3+ atom. In the second O2- site, O2- is bonded in a 7-coordinate geometry to three Rb1+, three Na1+, and one In3+ atom. In the third O2- site, O2- is bonded in a 7-coordinate geometry to three Rb1+, three Na1+, and one In3+ atom.

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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 Rb3ZnBr5 by Materials Project

Rb3ZnBr5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.48–4.11 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.42–3.82 Å. Zn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are three shorter (2.43 Å) and one longer (2.46 Å) Zn–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to six Rb1+ atoms to form distorted face-sharing BrRb6 octahedra. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to five Rb1+ and one Zn2+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to five Rb1+ and one Zn2+ atom. In the fourth Br1- site, Br1- is bonded in a distorted single-bond geometry to five Rb1+ and one Zn2+ atom.

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Materials Data on Rb2NaH5(CO4)2 by Materials Project

Rb2NaH5(CO4)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to two H1+ and eight O2- atoms. There are one shorter (2.91 Å) and one longer (3.13 Å) Rb–H bond lengths. There are a spread of Rb–O bond distances ranging from 2.91–3.20 Å. Na1+ is bonded to six O2- atoms to form distorted corner-sharing NaO6 pentagonal pyramids. There are a spread of Na–O bond distances ranging from 2.37–2.59 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.27–1.37 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.30 Å) and one longer (1.31 Å) C–O bond length. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two equivalent Rb1+ and two O2- atoms. There is one shorter (1.09 Å) and one longer (1.38 Å) H–O bond length. 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 one Rb1+ and one O2- atom. The H–O bond length is 1.00 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Rb1+, one Na1+, and two H1+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Na1+, and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, two equivalent Na1+, and one C4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Na1+, one C4+, and one H1+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Rb1+, one C4+, and one H1+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to two equivalent Rb1+ and one C4+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to two equivalent Rb1+ and one C4+ atom.

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DOE OSTI2020

Materials Data on Rb2CuH12(SeO7)2 by Materials Project

Rb2CuH12(SeO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to one H1+ and eight O2- atoms. The Rb–H bond length is 3.07 Å. There are a spread of Rb–O bond distances ranging from 2.99–3.37 Å. Cu2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.97–2.41 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.76 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one Rb1+ and one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.68 Å) H–O bond length. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one H1+, and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Cu2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Rb1+, two H1+, and one Se6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Rb1+, one Cu2+, and two H1+ atoms. In the seventh O2- site, O2- is bonded in a water-like geometry to one Rb1+, one Cu2+, and two H1+ atoms.

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