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Materials Data on RbMg6Ga by Materials Project

RbMg6Ga crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to ten Mg and two equivalent Ga atoms to form a mixture of corner and face-sharing RbMg10Ga2 cuboctahedra. There are a spread of Rb–Mg bond distances ranging from 3.35–3.40 Å. Both Rb–Ga bond lengths are 3.49 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to two equivalent Rb, two equivalent Mg, and one Ga atom. Both Mg–Mg bond lengths are 3.33 Å. The Mg–Ga bond length is 3.13 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Rb, two equivalent Mg, and two equivalent Ga atoms. There are one shorter (3.30 Å) and one longer (3.45 Å) Mg–Mg bond lengths. Both Mg–Ga bond lengths are 3.15 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb and two equivalent Mg atoms. Both Mg–Mg bond lengths are 3.49 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg and two equivalent Ga atoms. Both Mg–Ga bond lengths are 3.41 Å. Ga is bonded in a 10-coordinate geometry to two equivalent Rb and eight Mg atoms.

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Materials Data on RbMg6C by Materials Project

RbMg6C crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded in a 10-coordinate geometry to two equivalent Rb and six Mg atoms. Both Rb–Rb bond lengths are 3.36 Å. There are two shorter (3.75 Å) and four longer (3.76 Å) Rb–Mg bond lengths. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Mg atoms. Both Mg–Mg bond lengths are 3.26 Å. In the second Mg site, Mg is bonded in an L-shaped geometry to two equivalent Rb, one Mg, and two equivalent C atoms. The Mg–Mg bond length is 3.26 Å. Both Mg–C bond lengths are 2.36 Å. In the third Mg site, Mg is bonded in a water-like geometry to two equivalent Rb and two equivalent C atoms. Both Mg–C bond lengths are 2.22 Å. In the fourth Mg site, Mg is bonded in a 8-coordinate geometry to eight Mg atoms. Both Mg–Mg bond lengths are 3.36 Å. C is bonded in a 6-coordinate geometry to six Mg atoms.

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Materials Data on Rb3Pd by Materials Project

Rb4PdRb8Pd3 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Rb4Pd clusters and two Rb8Pd3 sheets oriented in the (0, 0, 1) direction. In each Rb4Pd cluster, Rb is bonded in a single-bond geometry to one Pd atom. The Rb–Pd bond length is 3.16 Å. Pd is bonded in a square co-planar geometry to four equivalent Rb atoms. In each Rb8Pd3 sheet, Rb is bonded in a water-like geometry to two Pd atoms. There are one shorter (3.56 Å) and one longer (3.72 Å) Rb–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a body-centered cubic geometry to eight equivalent Rb atoms. In the second Pd site, Pd is bonded in a 4-coordinate geometry to four equivalent Rb atoms.

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Materials Data on Rb2V(OF2)2 by Materials Project

Rb2V(OF2)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to four O and eight F atoms. There are two shorter (3.19 Å) and two longer (3.28 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 3.00–3.39 Å. V is bonded in an octahedral geometry to two O and four F atoms. There is one shorter (1.68 Å) and one longer (1.97 Å) V–O bond length. There is two shorter (1.87 Å) and two longer (1.90 Å) V–F bond length. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to four equivalent Rb and one V atom. In the second O site, O is bonded in a single-bond geometry to four equivalent Rb and one V atom. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to four equivalent Rb and one V atom. In the second F site, F is bonded in a distorted single-bond geometry to four equivalent Rb and one V atom.

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Materials Data on RbNd(SO6)2 by Materials Project

RbNd(SO6)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.37 Å. Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.36–2.70 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.52 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.53 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Rb and one O atom. The O–O bond length is 1.26 Å. In the second O site, O is bonded in a single-bond geometry to one Rb and one S atom. In the third O site, O is bonded in a distorted water-like geometry to one Nd and one S atom. In the fourth O site, O is bonded in a linear geometry to one Nd and one S atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Nd and one S atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Rb and one Nd atom. In the seventh O site, O is bonded in a 4-coordinate geometry to two equivalent Rb, one Nd, and one S atom. In the eighth O site, O is bonded in a distorted water-like geometry to one Nd and one S atom. In the ninth O site, O is bonded in a single-bond geometry to one S atom. In the tenth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb, one Nd, and one S atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.31 Å. In the twelfth O site, O is bonded in a water-like geometry to one Nd and one O atom.

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Materials Data on RbCaMg6 by Materials Project

RbCaMg6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to two equivalent Ca and ten Mg atoms to form distorted RbCa2Mg10 cuboctahedra that share corners with four equivalent CaRb2Mg10 cuboctahedra, corners with six equivalent RbCa2Mg10 cuboctahedra, edges with two equivalent CaRb2Mg10 cuboctahedra, faces with two equivalent RbCa2Mg10 cuboctahedra, and faces with two equivalent CaRb2Mg10 cuboctahedra. Both Rb–Ca bond lengths are 3.82 Å. There are a spread of Rb–Mg bond distances ranging from 3.44–3.57 Å. Ca is bonded to two equivalent Rb and ten Mg atoms to form distorted CaRb2Mg10 cuboctahedra that share corners with four equivalent RbCa2Mg10 cuboctahedra, corners with six equivalent CaRb2Mg10 cuboctahedra, edges with two equivalent RbCa2Mg10 cuboctahedra, faces with two equivalent RbCa2Mg10 cuboctahedra, and faces with two equivalent CaRb2Mg10 cuboctahedra. There are a spread of Ca–Mg bond distances ranging from 3.43–3.53 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Rb, two equivalent Ca, and six Mg atoms. There are two shorter (3.31 Å) and four longer (3.43 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded in a 8-coordinate geometry to two equivalent Rb, two equivalent Ca, and four Mg atoms. There are one shorter (3.10 Å) and one longer (3.31 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ca and six Mg atoms. In the fourth Mg site, Mg is bonded in a 8-coordinate geometry to two equivalent Rb and six Mg atoms.

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Materials Data on RbMg6Sb by Materials Project

RbMg6Sb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to ten Mg and two equivalent Sb atoms to form RbMg10Sb2 cuboctahedra that share corners with four equivalent SbRb2Mg10 cuboctahedra, corners with six equivalent RbMg10Sb2 cuboctahedra, corners with eight equivalent MgRb2Mg8Sb2 cuboctahedra, edges with two equivalent SbRb2Mg10 cuboctahedra, edges with four equivalent MgRb2Mg8Sb2 cuboctahedra, faces with two equivalent RbMg10Sb2 cuboctahedra, faces with two equivalent SbRb2Mg10 cuboctahedra, and faces with four equivalent MgRb2Mg8Sb2 cuboctahedra. There are a spread of Rb–Mg bond distances ranging from 3.37–3.49 Å. Both Rb–Sb bond lengths are 3.38 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Rb, eight Mg, and two equivalent Sb atoms to form distorted MgRb2Mg8Sb2 cuboctahedra that share corners with four equivalent RbMg10Sb2 cuboctahedra, corners with four equivalent SbRb2Mg10 cuboctahedra, corners with ten equivalent MgRb2Mg8Sb2 cuboctahedra, edges with two equivalent RbMg10Sb2 cuboctahedra, edges with two equivalent MgRb2Mg8Sb2 cuboctahedra, edges with two equivalent SbRb2Mg10 cuboctahedra, faces with two equivalent RbMg10Sb2 cuboctahedra, faces with two equivalent SbRb2Mg10 cuboctahedra, and faces with four equivalent MgRb2Mg8Sb2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.26–3.42 Å. There are one shorter (3.41 Å) and one longer (3.53 Å) Mg–Sb bond lengths. In the second Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Rb, three Mg, and two equivalent Sb atoms. The Mg–Mg bond length is 3.26 Å. Both Mg–Sb bond lengths are 3.26 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb and eight Mg atoms. Both Mg–Mg bond lengths are 3.39 Å. In the fourth Mg site, Mg is bonded in a distorted water-like geometry to six Mg and two equivalent Sb atoms. Both Mg–Sb bond lengths are 3.38 Å. Sb is bonded to two equivalent Rb and ten Mg atoms to form distorted SbRb2Mg10 cuboctahedra that share corners with four equivalent RbMg10Sb2 cuboctahedra, corners with six equivalent SbRb2Mg10 cuboctahedra, corners with eight equivalent MgRb2Mg8Sb2 cuboctahedra, edges with two equivalent RbMg10Sb2 cuboctahedra, edges with four equivalent MgRb2Mg8Sb2 cuboctahedra, faces with two equivalent RbMg10Sb2 cuboctahedra, faces with two equivalent SbRb2Mg10 cuboctahedra, and faces with four equivalent MgRb2Mg8Sb2 cuboctahedra.

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Materials Data on RbLiMoO5 by Materials Project

RbLiMoO5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.27 Å. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with three equivalent MoO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.93–2.12 Å. Mo is bonded to four O atoms to form MoO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra. There are a spread of Mo–O bond distances ranging from 1.77–1.82 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two equivalent Rb and one Mo atom. In the second O site, O is bonded in a 4-coordinate geometry to two equivalent Rb, one Li, and one Mo atom. In the third O site, O is bonded in a 2-coordinate geometry to one Rb, one Li, and one Mo atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Rb, one Li, and one Mo atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one Li atom.

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Materials Data on RbMg6Co by Materials Project

RbMg6Co crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to ten Mg and two equivalent Co atoms to form RbMg10Co2 cuboctahedra that share corners with six equivalent RbMg10Co2 cuboctahedra, edges with four equivalent MgRb2Mg10 cuboctahedra, faces with two equivalent RbMg10Co2 cuboctahedra, and faces with two equivalent MgRb2Mg10 cuboctahedra. There are a spread of Rb–Mg bond distances ranging from 3.21–3.37 Å. Both Rb–Co bond lengths are 3.35 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Rb, six Mg, and one Co atom. There are a spread of Mg–Mg bond distances ranging from 3.18–3.28 Å. The Mg–Co bond length is 2.58 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb, seven Mg, and two equivalent Co atoms. There are a spread of Mg–Mg bond distances ranging from 2.93–3.40 Å. Both Mg–Co bond lengths are 3.03 Å. In the third Mg site, Mg is bonded in a distorted q6 geometry to ten Mg atoms. Both Mg–Mg bond lengths are 3.28 Å. In the fourth Mg site, Mg is bonded to two equivalent Rb and ten Mg atoms to form distorted MgRb2Mg10 cuboctahedra that share corners with six equivalent MgRb2Mg10 cuboctahedra, edges with four equivalent RbMg10Co2 cuboctahedra, faces with two equivalent RbMg10Co2 cuboctahedra, and faces with two equivalent MgRb2Mg10 cuboctahedra. Co is bonded in a 8-coordinate geometry to two equivalent Rb and six Mg atoms.

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Materials Data on RbSm(SO6)2 by Materials Project

RbSm(SO6)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.35 Å. Sm is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.66 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.52 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.53 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Rb and one O atom. The O–O bond length is 1.26 Å. In the second O site, O is bonded in a single-bond geometry to one Rb and one S atom. In the third O site, O is bonded in a distorted water-like geometry to one Sm and one S atom. In the fourth O site, O is bonded in a distorted linear geometry to one Sm and one S atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Sm and one S atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Rb and one Sm atom. In the seventh O site, O is bonded in a 4-coordinate geometry to two equivalent Rb, one Sm, and one S atom. In the eighth O site, O is bonded in a distorted water-like geometry to one Sm and one S atom. In the ninth O site, O is bonded in a single-bond geometry to one S atom. In the tenth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb, one Sm, and one S atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.32 Å. In the twelfth O site, O is bonded in a water-like geometry to one Sm and one O atom.

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Materials Data on RbLiWO5 by Materials Project

RbLiWO5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.77–3.31 Å. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with three equivalent WO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.10 Å. W is bonded to four O atoms to form WO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra. There are a spread of W–O bond distances ranging from 1.79–1.85 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Rb and one W atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Rb, one Li, and one W atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one Li atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one Rb, one Li, and one W atom. In the fifth O site, O is bonded in a 4-coordinate geometry to two equivalent Rb, one Li, and one W atom.

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Materials Data on RbMg2 by Materials Project

RbMg2 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one RbMg2 sheet oriented in the (0, 0, 1) direction. Rb is bonded in a 8-coordinate geometry to two equivalent Rb and four Mg atoms. Both Rb–Rb bond lengths are 3.85 Å. There are two shorter (4.04 Å) and two longer (4.13 Å) Rb–Mg bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to two equivalent Rb and six equivalent Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.09–3.15 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Rb and eight Mg atoms. Both Mg–Mg bond lengths are 3.33 Å.

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Materials Data on Rb3Ge7HO20 by Materials Project

(Rb3Ge7O19)2H2O2 crystallizes in the trigonal R3m space group. The structure is three-dimensional and consists of three water molecules and one Rb3Ge7O19 framework. In the Rb3Ge7O19 framework, Rb is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Rb–O bond distances ranging from 3.10–3.30 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form corner-sharing GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There is one shorter (1.76 Å) and three longer (1.77 Å) Ge–O bond length. In the second Ge site, Ge is bonded to six O atoms to form corner-sharing GeO6 octahedra. There is three shorter (1.84 Å) and three longer (2.04 Å) Ge–O bond length. In the third Ge site, Ge is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Ge–O bond distances ranging from 1.80–2.07 Å. There are six inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent Rb atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Rb atoms. In the third O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Rb and two Ge atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two equivalent Rb and two Ge atoms. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Rb and two Ge atoms. In the sixth O site, O is bonded in a trigonal non-coplanar geometry to three Ge atoms.

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Materials Data on RbNaB4H4O13 by Materials Project

RbNaB4H4O13 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.24 Å. Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.28–2.56 Å. There are four inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.37–1.39 Å. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.37–1.39 Å. In the third B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.51 Å. In the fourth B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.44–1.51 Å. There are four inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.97 Å. In the fourth H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.61 Å) H–O bond length. There are thirteen inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to two B and one H atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two B atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to two B atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the sixth O site, O is bonded in a distorted water-like geometry to one Rb, one B, and one H atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Rb, one B, and one H atom. In the eighth O site, O is bonded in a water-like geometry to one Rb, one B, and one H atom. In the ninth O site, O is bonded in a 2-coordinate geometry to one Rb, one Na, one B, and one H atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one Rb and one Na atom. In the eleventh O site, O is bonded in a single-bond geometry to one Na atom. In the twelfth O site, O is bonded in a single-bond geometry to one Na atom. In the thirteenth O site, O is bonded in an L-shaped geometry to two equivalent Na atoms.

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Materials Data on RbMg6Si by Materials Project

RbMg6Si crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded in a 10-coordinate geometry to eight Mg and two equivalent Si atoms. There are a spread of Rb–Mg bond distances ranging from 3.48–3.61 Å. Both Rb–Si bond lengths are 3.57 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Rb, two equivalent Mg, and one Si atom. Both Mg–Mg bond lengths are 3.23 Å. The Mg–Si bond length is 2.76 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six Mg atoms. All Mg–Mg bond lengths are 3.14 Å. In the third Mg site, Mg is bonded in a distorted water-like geometry to one Rb, two equivalent Mg, and two equivalent Si atoms. Both Mg–Si bond lengths are 2.84 Å. In the fourth Mg site, Mg is bonded in a 8-coordinate geometry to two equivalent Rb and six Mg atoms. Si is bonded in a 8-coordinate geometry to two equivalent Rb and six Mg atoms.

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Materials Data on Rb2AlOF5 by Materials Project

Rb2AlOF5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to two equivalent O and ten F atoms. There are one shorter (3.14 Å) and one longer (3.32 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.82–3.32 Å. Al is bonded to six F atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Al–F bond distances ranging from 1.80–1.91 Å. O is bonded in a distorted square co-planar geometry to four equivalent Rb atoms. There are three inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to four equivalent Rb and one Al atom. In the second F site, F is bonded in a single-bond geometry to four equivalent Rb and one Al atom. In the third F site, F is bonded in a linear geometry to four equivalent Rb and two equivalent Al atoms.

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Materials Data on Rb12Sn2As6O by Materials Project

Rb12Sn2As6O 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 in a distorted single-bond geometry to two equivalent Rb1+, four equivalent As3-, and one O2- atom. Both Rb–Rb bond lengths are 3.92 Å. There are a spread of Rb–As bond distances ranging from 3.53–3.77 Å. The Rb–O bond length is 2.78 Å. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to four Rb1+ and six equivalent As3- atoms. There are one shorter (3.54 Å) and one longer (3.56 Å) Rb–Rb bond lengths. There are a spread of Rb–As bond distances ranging from 3.79–4.01 Å. Sn4+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Sn–As bond lengths are 2.57 Å. As3- is bonded in a 1-coordinate geometry to ten Rb1+ and one Sn4+ atom. O2- is bonded in an octahedral geometry to six equivalent Rb1+ atoms.

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Materials Data on RbMg6Co by Materials Project

RbMg6Co crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded in a 2-coordinate geometry to eight Mg and two equivalent Co atoms. There are a spread of Rb–Mg bond distances ranging from 3.33–4.00 Å. Both Rb–Co bond lengths are 3.71 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Rb, two equivalent Mg, and one Co atom. Both Mg–Mg bond lengths are 3.17 Å. The Mg–Co bond length is 2.57 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to four equivalent Mg and two equivalent Co atoms. All Mg–Mg bond lengths are 3.09 Å. Both Mg–Co bond lengths are 3.27 Å. In the third Mg site, Mg is bonded in a distorted bent 120 degrees geometry to one Rb, two equivalent Mg, and two equivalent Co atoms. Both Mg–Co bond lengths are 2.68 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb and four equivalent Mg atoms. Co is bonded in a 6-coordinate geometry to two equivalent Rb and eight Mg atoms.

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