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Materials Data on RbAu by Materials Project

RbAu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent Au1- atoms. All Rb–Au bond lengths are 3.64 Å. Au1- is bonded in a body-centered cubic geometry to eight equivalent Rb1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on RbAu(SO4)2 by Materials Project

RbAu(SO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share corners with four equivalent SO4 tetrahedra, edges with four equivalent RbO12 cuboctahedra, edges with four equivalent SO4 tetrahedra, and faces with two equivalent RbO12 cuboctahedra. There are a spread of Rb–O bond distances ranging from 3.10–3.36 Å. Au3+ is bonded in a square co-planar geometry to four O2- atoms. All Au–O bond lengths are 2.04 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent RbO12 cuboctahedra and edges with two equivalent RbO12 cuboctahedra. There are a spread of S–O bond distances ranging from 1.45–1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Rb1+ and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Au3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Au3+, and one S6+ atom.

36 MATERIALS SCIENCE↗

Materials Data on RbAu(SeO4)2 by Materials Project

RbAu(SeO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.41 Å. Au5+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.03 Å. Se5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.75 Å) Se–O bond length. 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 Se5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one Se5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one Au5+, and one Se5+ atom.

36 MATERIALS SCIENCE↗

Materials Data on RbAu(CN)2 by Materials Project

RbAu(CN)2 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 5-coordinate geometry to five N3- atoms. There are a spread of Rb–N bond distances ranging from 3.02–3.21 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 3.05–3.29 Å. There are three inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a distorted linear geometry to two equivalent C3+ atoms. Both Au–C bond lengths are 1.99 Å. In the second Au1- site, Au1- is bonded in a linear geometry to two C3+ atoms. Both Au–C bond lengths are 1.99 Å. In the third Au1- site, Au1- is bonded in a linear geometry to two equivalent C3+ atoms. Both Au–C bond lengths are 1.99 Å. There are four inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a distorted single-bond geometry to one Au1- and one N3- atom. The C–N bond length is 1.17 Å. In the second C3+ site, C3+ is bonded in a single-bond geometry to one Au1- and one N3- atom. The C–N bond length is 1.18 Å. In the third C3+ site, C3+ is bonded in a distorted single-bond geometry to one Au1- and one N3- atom. The C–N bond length is 1.18 Å. In the fourth C3+ site, C3+ is bonded in a single-bond geometry to one Au1- and one N3- atom. The C–N bond length is 1.17 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C3+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C3+ atom. In the third N3- site, N3- is bonded in a 1-coordinate geometry to three Rb1+ and one C3+ atom. In the fourth N3- site, N3- is bonded in a 1-coordinate geometry to three Rb1+ and one C3+ atom.

36 MATERIALS SCIENCE↗

Materials Data on RbAuC4S4(OF)12 by Materials Project

RbAu(SO3)4(CF3)4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of sixteen fluoroform molecules and two RbAu(SO3)4 sheets oriented in the (0, 1, 0) direction. In each RbAu(SO3)4 sheet, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 3.02–3.08 Å. Au3+ is bonded in a square co-planar geometry to four O2- atoms. All Au–O bond lengths are 2.05 Å. There are four inequivalent S4+ sites. In the first S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.44 Å) and one longer (1.55 Å) S–O bond length. In the second S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.44 Å) and one longer (1.55 Å) S–O bond length. In the third S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.44 Å) and one longer (1.55 Å) S–O bond length. In the fourth S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.44 Å) and one longer (1.55 Å) S–O bond length. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one S4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one S4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Au3+ and one S4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one S4+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Au3+ and one S4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one S4+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one S4+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one Au3+ and one S4+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one S4+ atom. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to one Au3+ and one S4+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one S4+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one S4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on RbH12AuC4(SO3)4 by Materials Project

RbAu(SO3)4(CH3)4 crystallizes in the tetragonal P-42_1c space group. The structure is three-dimensional and consists of eight methane molecules and one RbAu(SO3)4 framework. In the RbAu(SO3)4 framework, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (3.10 Å) and four longer (3.16 Å) Rb–O bond lengths. Au3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.05 Å. S2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.45 Å) and one longer (1.57 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Au3+ and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one S2- atom.

36 MATERIALS SCIENCE↗