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Title: Materials Data on ZrP by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1313121· OSTI ID:1313121

ZrP is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr3+ is bonded to six equivalent P3- atoms to form a mixture of edge and corner-sharing ZrP6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–P bond lengths are 2.65 Å. P3- is bonded to six equivalent Zr3+ atoms to form a mixture of edge and corner-sharing PZr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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:
1313121
Report Number(s):
mp-930
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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