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Title: Materials Data on NaZnP by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1208427· OSTI ID:1208427

NaZnP is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded to five equivalent P3- atoms to form distorted NaP5 trigonal bipyramids that share corners with twelve equivalent ZnP4 tetrahedra, corners with four equivalent NaP5 trigonal bipyramids, edges with four equivalent ZnP4 tetrahedra, and edges with eight equivalent NaP5 trigonal bipyramids. There are one shorter (2.99 Å) and four longer (3.05 Å) Na–P bond lengths. Zn2+ is bonded to four equivalent P3- atoms to form ZnP4 tetrahedra that share corners with four equivalent ZnP4 tetrahedra, corners with twelve equivalent NaP5 trigonal bipyramids, edges with four equivalent ZnP4 tetrahedra, and edges with four equivalent NaP5 trigonal bipyramids. All Zn–P bond lengths are 2.51 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Zn2+ atoms.

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:
1208427
Report Number(s):
mp-4824
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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