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Materials Data on Rb3P by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1314651· OSTI ID:1314651
Rb3P is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to four equivalent Rb1+ and four equivalent P3- atoms to form a mixture of distorted edge, corner, and face-sharing RbRb4P4 tetrahedra. All Rb–Rb bond lengths are 3.66 Å. All Rb–P bond lengths are 3.66 Å. In the second Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight equivalent Rb1+ atoms. P3- is bonded in a body-centered cubic geometry to eight equivalent Rb1+ atoms.
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:
1314651
Report Number(s):
mp-974822
Country of Publication:
United States
Language:
English

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