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Materials Data on RbZn4P3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1314725· OSTI ID:1314725
RbZn4P3 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Rb–P bond lengths are 3.64 Å. Zn2+ is bonded to four P3- atoms to form a mixture of corner and edge-sharing ZnP4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.59 Å) Zn–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a body-centered cubic geometry to eight equivalent Zn2+ atoms. In the second P3- site, P3- is bonded in a 8-coordinate geometry to four equivalent Rb1+ and four equivalent Zn2+ 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:
1314725
Report Number(s):
mp-975140
Country of Publication:
United States
Language:
English

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