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Title: Materials Data on Zn4P6SN12 by Materials Project

Abstract

Zn4P6N12S crystallizes in the cubic I-43m space group. The structure is three-dimensional. Zn2+ is bonded to three equivalent N3- and one S2- atom to form distorted ZnSN3 tetrahedra that share corners with three equivalent ZnSN3 tetrahedra and corners with six equivalent PN4 tetrahedra. All Zn–N bond lengths are 2.04 Å. The Zn–S bond length is 2.37 Å. P5+ is bonded to four equivalent N3- atoms to form PN4 tetrahedra that share corners with four equivalent ZnSN3 tetrahedra and corners with four equivalent PN4 tetrahedra. All P–N bond lengths are 1.64 Å. N3- is bonded in a trigonal planar geometry to one Zn2+ and two equivalent P5+ atoms. S2- is bonded in a tetrahedral geometry to four equivalent Zn2+ atoms.

Publication Date:
Other Number(s):
mp-15833
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Zn4P6SN12; N-P-S-Zn
OSTI Identifier:
1191409
DOI:
10.17188/1191409

Citation Formats

The Materials Project. Materials Data on Zn4P6SN12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191409.
The Materials Project. Materials Data on Zn4P6SN12 by Materials Project. United States. doi:10.17188/1191409.
The Materials Project. 2020. "Materials Data on Zn4P6SN12 by Materials Project". United States. doi:10.17188/1191409. https://www.osti.gov/servlets/purl/1191409. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1191409,
title = {Materials Data on Zn4P6SN12 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn4P6N12S crystallizes in the cubic I-43m space group. The structure is three-dimensional. Zn2+ is bonded to three equivalent N3- and one S2- atom to form distorted ZnSN3 tetrahedra that share corners with three equivalent ZnSN3 tetrahedra and corners with six equivalent PN4 tetrahedra. All Zn–N bond lengths are 2.04 Å. The Zn–S bond length is 2.37 Å. P5+ is bonded to four equivalent N3- atoms to form PN4 tetrahedra that share corners with four equivalent ZnSN3 tetrahedra and corners with four equivalent PN4 tetrahedra. All P–N bond lengths are 1.64 Å. N3- is bonded in a trigonal planar geometry to one Zn2+ and two equivalent P5+ atoms. S2- is bonded in a tetrahedral geometry to four equivalent Zn2+ atoms.},
doi = {10.17188/1191409},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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