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Materials Data on Rb3B12H12Br by Materials Project

Rb3B12H12Br crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to eight H+0.83+ and two equivalent Br1- atoms. There are four shorter (3.05 Å) and four longer (3.12 Å) Rb–H bond lengths. Both Rb–Br bond lengths are 3.57 Å. There are two inequivalent B1- sites. In the first B1- site, B1- is bonded in a single-bond geometry to one H+0.83+ atom. The B–H bond length is 1.21 Å. In the second B1- site, B1- is bonded in a single-bond geometry to one H+0.83+ atom. The B–H bond length is 1.20 Å. There are two inequivalent H+0.83+ sites. In the first H+0.83+ site, H+0.83+ is bonded in a single-bond geometry to two equivalent Rb1+ and one B1- atom. In the second H+0.83+ site, H+0.83+ is bonded in a single-bond geometry to two equivalent Rb1+ and one B1- atom. Br1- is bonded to six equivalent Rb1+ atoms to form corner-sharing BrRb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Rb3B12H12Cl by Materials Project

Rb3B12H12Cl crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to eight H+0.83+ and two equivalent Cl1- atoms. There are four shorter (3.01 Å) and four longer (3.06 Å) Rb–H bond lengths. Both Rb–Cl bond lengths are 3.53 Å. There are two inequivalent B1- sites. In the first B1- site, B1- is bonded in a single-bond geometry to one H+0.83+ atom. The B–H bond length is 1.21 Å. In the second B1- site, B1- is bonded in a single-bond geometry to one H+0.83+ atom. The B–H bond length is 1.20 Å. There are two inequivalent H+0.83+ sites. In the first H+0.83+ site, H+0.83+ is bonded in a single-bond geometry to two equivalent Rb1+ and one B1- atom. In the second H+0.83+ site, H+0.83+ is bonded in a single-bond geometry to two equivalent Rb1+ and one B1- atom. Cl1- is bonded to six equivalent Rb1+ atoms to form corner-sharing ClRb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on RbMgCl3 by Materials Project

RbMgCl3 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 Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with eight equivalent MgCl6 octahedra. There are six shorter (3.60 Å) and six longer (3.65 Å) Rb–Cl bond lengths. In the second Rb1+ site, Rb1+ is bonded to twelve Cl1- atoms to form RbCl12 cuboctahedra that share corners with six equivalent RbCl12 cuboctahedra, corners with six equivalent MgCl6 octahedra, faces with eight RbCl12 cuboctahedra, and faces with six equivalent MgCl6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are six shorter (3.60 Å) and six longer (3.72 Å) Rb–Cl bond lengths. Mg2+ is bonded to six Cl1- atoms to form MgCl6 octahedra that share corners with three equivalent RbCl12 cuboctahedra, corners with three equivalent MgCl6 octahedra, faces with seven RbCl12 cuboctahedra, and a faceface with one MgCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–Cl bond lengths are 2.52 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four Rb1+ and two equivalent Mg2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted linear geometry to four Rb1+ and two equivalent Mg2+ atoms.

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Materials Data on Rb3Au3Cl8 by Materials Project

Rb3Au3Cl8 crystallizes in the monoclinic C2/c 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 3.31–4.02 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.36–3.72 Å. There are two inequivalent Au+1.67+ sites. In the first Au+1.67+ site, Au+1.67+ is bonded in a distorted octahedral geometry to six Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.35–3.30 Å. In the second Au+1.67+ site, Au+1.67+ is bonded in a distorted linear geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.31–3.27 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Rb1+ and two Au+1.67+ atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and two Au+1.67+ atoms. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Rb1+ and one Au+1.67+ atom. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two Rb1+ and two Au+1.67+ atoms.

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Materials Data on RbCrI3 by Materials Project

RbCrI3 crystallizes in the monoclinic C2 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 I1- atoms. There are a spread of Rb–I bond distances ranging from 3.73–4.18 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.74–4.15 Å. There are three inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded to six I1- atoms to form face-sharing CrI6 octahedra. There are a spread of Cr–I bond distances ranging from 2.77–3.20 Å. In the second Cr2+ site, Cr2+ is bonded to six I1- atoms to form face-sharing CrI6 octahedra. There are a spread of Cr–I bond distances ranging from 2.77–3.15 Å. In the third Cr2+ site, Cr2+ is bonded to six I1- atoms to form face-sharing CrI6 octahedra. There are a spread of Cr–I bond distances ranging from 2.77–3.15 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three Rb1+ and two Cr2+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to three Rb1+ and two Cr2+ atoms. In the third I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms. In the fourth I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms. In the fifth I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms. In the sixth I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms.

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Materials Data on Rb2CoI4 by Materials Project

Rb2CoI4 crystallizes in the monoclinic P2_1/m 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 I1- atoms. There are a spread of Rb–I bond distances ranging from 3.68–4.31 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 3.83–4.23 Å. Co2+ is bonded in a tetrahedral geometry to four I1- atoms. There are two shorter (2.58 Å) and two longer (2.59 Å) Co–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to five Rb1+ and one Co2+ atom. In the second I1- site, I1- is bonded in a 5-coordinate geometry to four Rb1+ and one Co2+ atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to four Rb1+ and one Co2+ atom.

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Materials Data on Rb3Cu2Cl7 by Materials Project

Rb3Cu2Cl7 crystallizes in the orthorhombic Ccce 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 Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.29–3.67 Å. In the second Rb1+ site, Rb1+ is bonded to twelve Cl1- atoms to form RbCl12 cuboctahedra that share corners with four equivalent RbCl12 cuboctahedra, faces with four equivalent RbCl12 cuboctahedra, and faces with eight equivalent CuCl6 octahedra. There are eight shorter (3.49 Å) and four longer (3.66 Å) Rb–Cl bond lengths. Cu2+ is bonded to six Cl1- atoms to form CuCl6 octahedra that share corners with five equivalent CuCl6 octahedra and faces with four equivalent RbCl12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of Cu–Cl bond distances ranging from 2.23–2.95 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Rb1+ and two equivalent Cu2+ atoms. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to five equivalent Rb1+ and one Cu2+ atom. In the third Cl1- site, Cl1- is bonded in a linear geometry to four equivalent Rb1+ and two equivalent Cu2+ atoms.

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Materials Data on Rb2SnO2 by Materials Project

Rb2SnO2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.82–2.89 Å. In the second Rb1+ site, Rb1+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.90–2.99 Å. Sn2+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are one shorter (2.03 Å) and two longer (2.12 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Rb1+ and two equivalent Sn2+ atoms. In the second O2- site, O2- is bonded to five Rb1+ and one Sn2+ atom to form a mixture of distorted edge and corner-sharing ORb5Sn octahedra. The corner-sharing octahedra tilt angles range from 7–11°.

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Materials Data on Rb3Mn2Br7 by Materials Project

Rb3Mn2Br7 crystallizes in the tetragonal I4/mmm 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 3.47–3.84 Å. In the second Rb1+ site, Rb1+ is bonded to twelve Br1- atoms to form RbBr12 cuboctahedra that share corners with four equivalent RbBr12 cuboctahedra, faces with four equivalent RbBr12 cuboctahedra, and faces with eight equivalent MnBr6 octahedra. There are eight shorter (3.80 Å) and four longer (3.82 Å) Rb–Br bond lengths. Mn2+ is bonded to six Br1- atoms to form MnBr6 octahedra that share corners with five equivalent MnBr6 octahedra and faces with four equivalent RbBr12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of Mn–Br bond distances ranging from 2.63–2.78 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four Rb1+ and two equivalent Mn2+ atoms to form a mixture of distorted corner, edge, and face-sharing BrRb4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. In the second Br1- site, Br1- is bonded to five equivalent Rb1+ and one Mn2+ atom to form distorted BrRb5Mn octahedra that share corners with sixteen BrRb4Mn2 octahedra, edges with eight equivalent BrRb5Mn octahedra, and faces with four equivalent BrRb4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 11–53°. In the third Br1- site, Br1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Mn2+ atoms.

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Materials Data on Rb3Sb2Br9 by Materials Project

Rb3Sb2Br9 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to twelve Br1- atoms to form RbBr12 cuboctahedra that share corners with twelve RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with six equivalent SbBr6 octahedra. There are six shorter (4.03 Å) and six longer (4.09 Å) Rb–Br bond lengths. In the second Rb1+ site, Rb1+ is bonded to twelve Br1- atoms to form RbBr12 cuboctahedra that share corners with twelve RbBr12 cuboctahedra, faces with six RbBr12 cuboctahedra, and faces with five equivalent SbBr6 octahedra. There are a spread of Rb–Br bond distances ranging from 3.94–4.03 Å. Sb3+ is bonded to six Br1- atoms to form SbBr6 octahedra that share corners with three equivalent SbBr6 octahedra and faces with eight RbBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.69 Å) and three longer (2.96 Å) Sb–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to four Rb1+ and one Sb3+ atom. In the second Br1- site, Br1- is bonded to four Rb1+ and two equivalent Sb3+ atoms to form a mixture of distorted corner and face-sharing BrRb4Sb2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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Materials Data on Rb4CdBr6 by Materials Project

Rb4CdBr6 crystallizes in the trigonal R-3c 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 equivalent Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.54–3.77 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent Br1- atoms. All Rb–Br bond lengths are 3.42 Å. Cd2+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All Cd–Br bond lengths are 2.85 Å. Br1- is bonded to five Rb1+ and one Cd2+ atom to form a mixture of distorted edge, face, and corner-sharing BrRb5Cd octahedra. The corner-sharing octahedra tilt angles range from 0–64°.

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Materials Data on Rb3Mo15Se17 by Materials Project

Rb3Mo15Se17 crystallizes in the hexagonal P6_3/m 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 Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.62–3.89 Å. In the second Rb1+ site, Rb1+ is bonded in a 11-coordinate geometry to eleven Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.62–4.01 Å. There are three inequivalent Mo+2.07+ sites. In the first Mo+2.07+ site, Mo+2.07+ is bonded in a see-saw-like geometry to four Se2- atoms. There are a spread of Mo–Se bond distances ranging from 2.64–2.72 Å. In the second Mo+2.07+ site, Mo+2.07+ is bonded in a see-saw-like geometry to four Se2- atoms. There are a spread of Mo–Se bond distances ranging from 2.59–2.72 Å. In the third Mo+2.07+ site, Mo+2.07+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.55–2.71 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to two Rb1+ and four Mo+2.07+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to one Rb1+ and four Mo+2.07+ atoms. In the third Se2- site, Se2- is bonded in a 7-coordinate geometry to one Rb1+ and three equivalent Mo+2.07+ atoms. In the fourth Se2- site, Se2- is bonded in a 7-coordinate geometry to three Rb1+ and four Mo+2.07+ atoms.

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Materials Data on Rb4PbBr6 by Materials Project

Rb4PbBr6 crystallizes in the trigonal R-3c 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 equivalent Br1- atoms. All Rb–Br bond lengths are 3.47 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.64–3.79 Å. Pb2+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All Pb–Br bond lengths are 3.05 Å. Br1- is bonded to five Rb1+ and one Pb2+ atom to form a mixture of distorted corner, edge, and face-sharing BrRb5Pb octahedra. The corner-sharing octahedra tilt angles range from 0–67°.

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Materials Data on RbAg5S3 by Materials Project

RbAg5S3 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six S2- atoms to form face-sharing RbS6 octahedra. There are three shorter (3.38 Å) and three longer (3.40 Å) Rb–S bond lengths. In the second Rb1+ site, Rb1+ is bonded to six equivalent S2- atoms to form face-sharing RbS6 octahedra. All Rb–S bond lengths are 3.38 Å. There are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–2.77 Å. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Ag–S bond lengths are 2.41 Å. In the third Ag1+ site, Ag1+ is bonded in a linear geometry to two S2- atoms. There are one shorter (2.40 Å) and one longer (2.41 Å) Ag–S bond lengths. In the fourth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.54–2.82 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Rb1+ and four Ag1+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Rb1+ and four Ag1+ atoms. In the third S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Rb1+ and four Ag1+ atoms.

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Materials Data on Rb2Si2O5 by Materials Project

Rb2Si2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–2.96 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.78–2.94 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.59–1.66 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.59–1.66 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the fifth O2- site, O2- is bonded in a distorted linear geometry to two Si4+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.

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Materials Data on Rb2PuCl6 by Materials Project

Rb2PuCl6 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to twelve Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with four equivalent PuCl6 octahedra. There are a spread of Rb–Cl bond distances ranging from 3.63–3.88 Å. In the second Rb1+ site, Rb1+ is bonded to twelve Cl1- atoms to form RbCl12 cuboctahedra that share corners with six equivalent RbCl12 cuboctahedra, corners with three equivalent PuCl6 octahedra, faces with eight RbCl12 cuboctahedra, and faces with three equivalent PuCl6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are a spread of Rb–Cl bond distances ranging from 3.70–3.77 Å. Pu4+ is bonded to six Cl1- atoms to form PuCl6 octahedra that share corners with three equivalent RbCl12 cuboctahedra and faces with seven RbCl12 cuboctahedra. There are three shorter (2.59 Å) and three longer (2.60 Å) Pu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Rb1+ and one Pu4+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Rb1+ and one Pu4+ atom.

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Materials Data on Rb2GaSb2 by Materials Project

Rb2GaSb2 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 6-coordinate geometry to six Sb+2.50- atoms. There are a spread of Rb–Sb bond distances ranging from 3.87–4.20 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Sb+2.50- atoms. There are a spread of Rb–Sb bond distances ranging from 3.67–4.10 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three Sb+2.50- atoms. There are a spread of Ga–Sb bond distances ranging from 2.63–2.68 Å. In the second Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three Sb+2.50- atoms. There are a spread of Ga–Sb bond distances ranging from 2.61–2.63 Å. There are four inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 2-coordinate geometry to six Rb1+ and two Ga3+ atoms. In the second Sb+2.50- site, Sb+2.50- is bonded in a 2-coordinate geometry to six Rb1+ and two Ga3+ atoms. In the third Sb+2.50- site, Sb+2.50- is bonded in a 1-coordinate geometry to six Rb1+, one Ga3+, and one Sb+2.50- atom. The Sb–Sb bond length is 2.88 Å. In the fourth Sb+2.50- site, Sb+2.50- is bonded in a 1-coordinate geometry to six Rb1+, one Ga3+, and one Sb+2.50- atom.

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Materials Data on Rb3Nb2Br9 by Materials Project

Rb3Nb2Br9 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 Br1- atoms to form RbBr12 cuboctahedra that share corners with twelve RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with six equivalent NbBr6 octahedra. There are six shorter (3.71 Å) and six longer (3.93 Å) Rb–Br bond lengths. In the second Rb1+ site, Rb1+ is bonded to twelve Br1- atoms to form RbBr12 cuboctahedra that share corners with nine RbBr12 cuboctahedra, corners with three equivalent NbBr6 octahedra, faces with seven RbBr12 cuboctahedra, and faces with four equivalent NbBr6 octahedra. The corner-sharing octahedral tilt angles are 26°. There are a spread of Rb–Br bond distances ranging from 3.65–4.01 Å. Nb3+ is bonded to six Br1- atoms to form NbBr6 octahedra that share corners with three equivalent RbBr12 cuboctahedra, faces with seven RbBr12 cuboctahedra, and a faceface with one NbBr6 octahedra. There are three shorter (2.63 Å) and three longer (2.70 Å) Nb–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to four Rb1+ and one Nb3+ atom. In the second Br1- site, Br1- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Nb3+ atoms.

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