Materials Data on Rb4Sn(SeO)4 by Materials Project
Rb4Sn(SeO)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first 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 2.85–2.94 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 2.90–2.98 Å. In the third 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 2.89–3.15 Å. In the fourth 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 2.86–3.22 Å. Sn4+ is bonded in a tetrahedral geometry to four Se atoms. There are a spread of Sn–Se bond distances ranging from 2.51–2.71 Å. There are four inequivalent Se sites. In the first Se site, Se is bonded in a 1-coordinate geometry to one Sn4+ and one O2- atom. The Se–O bond length is 2.05 Å. In the second Se site, Se is bonded in a distorted single-bond geometry to one Sn4+ and one O2- atom. The Se–O bond length is 1.79 Å. In the third Se site, Se is bonded in a distorted single-bond geometry to one Sn4+ and one O2- atom. The Se–O bond length is 1.77 Å. In the fourth Se site, Se is bonded in a distorted single-bond geometry to one Sn4+ atom. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Rb1+, one Se, and one O2- atom. The O–O bond length is 1.44 Å. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Rb1+ and one Se atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Rb1+ and one Se atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Rb1+ and one O2- atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1709160
- Report Number(s):
- mp-1220490
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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