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Title: Materials Data on CsNO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1754498· OSTI ID:1754498

CsNO3 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to twelve equivalent O2- atoms to form corner-sharing CsO12 cuboctahedra. There are six shorter (3.46 Å) and six longer (3.48 Å) Cs–O bond lengths. In the second Cs1+ site, Cs1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All Cs–O bond lengths are 3.09 Å. N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. O2- is bonded in a distorted single-bond geometry to three Cs1+ and one N5+ 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:
1754498
Report Number(s):
mp-1196533
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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