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Title: Materials Data on Cs2NaGaP2 by Materials Project

Abstract

Cs2NaGaP2 is alpha Pu-derived structured and crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to five equivalent P3- atoms. There are a spread of Cs–P bond distances ranging from 3.47–4.04 Å. Na1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. All Na–P bond lengths are 2.95 Å. Ga3+ is bonded to four equivalent P3- atoms to form edge-sharing GaP4 tetrahedra. All Ga–P bond lengths are 2.49 Å. P3- is bonded in a 4-coordinate geometry to five equivalent Cs1+, two equivalent Na1+, and two equivalent Ga3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1213705
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cs2NaGaP2; Cs-Ga-Na-P
OSTI Identifier:
1758279
DOI:
https://doi.org/10.17188/1758279

Citation Formats

The Materials Project. Materials Data on Cs2NaGaP2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758279.
The Materials Project. Materials Data on Cs2NaGaP2 by Materials Project. United States. doi:https://doi.org/10.17188/1758279
The Materials Project. 2020. "Materials Data on Cs2NaGaP2 by Materials Project". United States. doi:https://doi.org/10.17188/1758279. https://www.osti.gov/servlets/purl/1758279. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758279,
title = {Materials Data on Cs2NaGaP2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2NaGaP2 is alpha Pu-derived structured and crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to five equivalent P3- atoms. There are a spread of Cs–P bond distances ranging from 3.47–4.04 Å. Na1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. All Na–P bond lengths are 2.95 Å. Ga3+ is bonded to four equivalent P3- atoms to form edge-sharing GaP4 tetrahedra. All Ga–P bond lengths are 2.49 Å. P3- is bonded in a 4-coordinate geometry to five equivalent Cs1+, two equivalent Na1+, and two equivalent Ga3+ atoms.},
doi = {10.17188/1758279},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}