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Materials Data on Rb2S5 by Materials Project

Rb2S5 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 7-coordinate geometry to nine S+0.40- atoms. There are a spread of Rb–S bond distances ranging from 3.45–3.80 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine S+0.40- atoms. There are a spread of Rb–S bond distances ranging from 3.42–4.00 Å. There are five inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to five Rb1+ and one S+0.40- atom. The S–S bond length is 2.06 Å. In the second S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to four Rb1+ and two S+0.40- atoms. The S–S bond length is 2.09 Å. In the third S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to five Rb1+ and one S+0.40- atom. The S–S bond length is 2.05 Å. In the fourth S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to three Rb1+ and two S+0.40- atoms. The S–S bond length is 2.09 Å. In the fifth S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to one Rb1+ and two S+0.40- atoms.

36 MATERIALS SCIENCE↗

Materials Data on RbS by Materials Project

RbS is alpha boron-derived structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent S1- atoms. There are four shorter (3.38 Å) and two longer (3.41 Å) Rb–S bond lengths. S1- is bonded in a 7-coordinate geometry to six equivalent Rb1+ and one S1- atom. The S–S bond length is 2.13 Å.

36 MATERIALS SCIENCE↗

Materials Data on Rb2S by Materials Project

Rb2S is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing RbS4 tetrahedra. All Rb–S bond lengths are 3.39 Å. S2- is bonded in a body-centered cubic geometry to eight equivalent Rb1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Rb2S3 by Materials Project

Rb2S3 crystallizes in the orthorhombic Cmc2_1 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 S+0.67- atoms. There are a spread of Rb–S bond distances ranging from 3.37–3.53 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight S+0.67- atoms. There are a spread of Rb–S bond distances ranging from 3.28–3.86 Å. There are two inequivalent S+0.67- sites. In the first S+0.67- site, S+0.67- is bonded in a 7-coordinate geometry to six Rb1+ and one S+0.67- atom. The S–S bond length is 2.10 Å. In the second S+0.67- site, S+0.67- is bonded in a 5-coordinate geometry to three Rb1+ and two equivalent S+0.67- atoms.

36 MATERIALS SCIENCE↗

Materials Data on RbS by Materials Project

RbS is alpha boron-derived structured and 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 in a 6-coordinate geometry to six S1- atoms. There are four shorter (3.31 Å) and two longer (3.40 Å) Rb–S bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six S1- atoms. There are two shorter (3.40 Å) and four longer (3.52 Å) Rb–S bond lengths. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded to six Rb1+ and one S1- atom to form a mixture of distorted face, edge, and corner-sharing SRb6S pentagonal bipyramids. The S–S bond length is 2.13 Å. In the second S1- site, S1- is bonded to six Rb1+ and one S1- atom to form a mixture of distorted face, edge, and corner-sharing SRb6S pentagonal bipyramids. The S–S bond length is 2.14 Å.

36 MATERIALS SCIENCE↗

Materials Data on RbS by Materials Project

RbS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent S1- atoms to form a mixture of edge and corner-sharing RbS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–S bond lengths are 3.40 Å. S1- is bonded to six equivalent Rb1+ atoms to form a mixture of edge and corner-sharing SRb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on RbS by Materials Project

RbS crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Rb1+ is bonded in a 3-coordinate geometry to seven equivalent S1- atoms. There are a spread of Rb–S bond distances ranging from 3.18–3.72 Å. S1- is bonded in a 3-coordinate geometry to seven equivalent Rb1+ and two equivalent S1- atoms. Both S–S bond lengths are 2.53 Å.

36 MATERIALS SCIENCE↗

Materials Data on RbS by Materials Project

RbS crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven equivalent S1- atoms. There are a spread of Rb–S bond distances ranging from 3.41–3.51 Å. S1- is bonded in a 9-coordinate geometry to seven equivalent Rb1+ and two equivalent S1- atoms. Both S–S bond lengths are 3.03 Å.

36 MATERIALS SCIENCE↗

Materials Data on RbS by Materials Project

RbS is Tetraauricupride structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent S1- atoms. There are a spread of Rb–S bond distances ranging from 3.47–3.50 Å. S1- is bonded in a body-centered cubic geometry to eight equivalent Rb1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on RbS by Materials Project

RbS crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two RbS ribbons oriented in the (0, 0, 1) direction. Rb1+ is bonded in a linear geometry to two equivalent S1- atoms. Both Rb–S bond lengths are 3.18 Å. S1- is bonded in a linear geometry to two equivalent Rb1+ atoms.

36 MATERIALS SCIENCE↗