Materials Data on Rb8SnO6 by Materials Project

Dataset · Thu Apr 30 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1298703· OSTI ID:1298703

Rb8SnO6 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted RbO4 tetrahedra that share corners with two equivalent SnO4 tetrahedra, corners with ten RbO4 tetrahedra, and edges with five RbO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.81–3.17 Å. In the second Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted RbO4 tetrahedra that share corners with fourteen RbO4 tetrahedra, an edgeedge with one SnO4 tetrahedra, and edges with three equivalent RbO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.85–2.99 Å. In the third Rb1+ site, Rb1+ is bonded to four O2- atoms to form RbO4 tetrahedra that share corners with three equivalent SnO4 tetrahedra, corners with nine RbO4 tetrahedra, and edges with three equivalent RbO4 tetrahedra. There are three shorter (2.92 Å) and one longer (2.95 Å) Rb–O bond lengths. Sn4+ is bonded to four O2- atoms to form SnO4 tetrahedra that share corners with twelve RbO4 tetrahedra and edges with three equivalent RbO4 tetrahedra. There are three shorter (2.01 Å) and one longer (2.04 Å) Sn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Rb1+ and one Sn4+ atom to form distorted ORb4Sn trigonal bipyramids that share corners with two equivalent ORb7 pentagonal bipyramids, corners with six equivalent ORb4Sn trigonal bipyramids, and edges with two equivalent ORb7 pentagonal bipyramids. In the second O2- site, O2- is bonded to seven Rb1+ atoms to form distorted ORb7 pentagonal bipyramids that share corners with three equivalent ORb4Sn trigonal bipyramids, edges with three equivalent ORb7 pentagonal bipyramids, and edges with three equivalent ORb4Sn trigonal bipyramids. In the third O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+ and one Sn4+ atom.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1298703
• Report Number(s): mp-769294
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
O-Rb-Sn
Rb8SnO6
crystal structure