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Title: Materials Data on Rb2P3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1195979· OSTI ID:1195979

Rb2P3 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight P+0.67- atoms. There are four shorter (3.62 Å) and four longer (3.68 Å) Rb–P bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten P+0.67- atoms. There are a spread of Rb–P bond distances ranging from 3.47–3.62 Å. There are two inequivalent P+0.67- sites. In the first P+0.67- site, P+0.67- is bonded in a 2-coordinate geometry to six Rb1+ and two equivalent P+0.67- atoms. Both P–P bond lengths are 2.17 Å. In the second P+0.67- site, P+0.67- is bonded in a 8-coordinate geometry to six Rb1+ and two P+0.67- atoms. The P–P bond length is 2.17 Å.

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:
1195979
Report Number(s):
mp-2079
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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