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Title: Materials Data on Rb3GaP2 by Materials Project

Abstract

Rb3GaP2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are six inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.43–3.60 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.49–3.70 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.39–3.64 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.56–3.92 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.47–3.63 Å. In the sixth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three P3- atoms. There are a spread of Rb–P bond distances ranging from 3.38–3.67 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bondedmore » in a trigonal planar geometry to three P3- atoms. There are a spread of Ga–P bond distances ranging from 2.28–2.41 Å. In the second Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three P3- atoms. There are one shorter (2.25 Å) and two longer (2.40 Å) Ga–P bond lengths. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded in a 2-coordinate geometry to four Rb1+ and two Ga3+ atoms. In the second P3- site, P3- is bonded in a 1-coordinate geometry to eight Rb1+ and one Ga3+ atom. In the third P3- site, P3- is bonded in a 7-coordinate geometry to five Rb1+ and two Ga3+ atoms. In the fourth P3- site, P3- is bonded in a 1-coordinate geometry to six Rb1+ and one Ga3+ atom.« less

Publication Date:
Other Number(s):
mp-29363
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; Rb3GaP2; Ga-P-Rb
OSTI Identifier:
1203712
DOI:
https://doi.org/10.17188/1203712

Citation Formats

The Materials Project. Materials Data on Rb3GaP2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203712.
The Materials Project. Materials Data on Rb3GaP2 by Materials Project. United States. doi:https://doi.org/10.17188/1203712
The Materials Project. 2020. "Materials Data on Rb3GaP2 by Materials Project". United States. doi:https://doi.org/10.17188/1203712. https://www.osti.gov/servlets/purl/1203712. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1203712,
title = {Materials Data on Rb3GaP2 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3GaP2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are six inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.43–3.60 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.49–3.70 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.39–3.64 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.56–3.92 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.47–3.63 Å. In the sixth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three P3- atoms. There are a spread of Rb–P bond distances ranging from 3.38–3.67 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three P3- atoms. There are a spread of Ga–P bond distances ranging from 2.28–2.41 Å. In the second Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three P3- atoms. There are one shorter (2.25 Å) and two longer (2.40 Å) Ga–P bond lengths. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded in a 2-coordinate geometry to four Rb1+ and two Ga3+ atoms. In the second P3- site, P3- is bonded in a 1-coordinate geometry to eight Rb1+ and one Ga3+ atom. In the third P3- site, P3- is bonded in a 7-coordinate geometry to five Rb1+ and two Ga3+ atoms. In the fourth P3- site, P3- is bonded in a 1-coordinate geometry to six Rb1+ and one Ga3+ atom.},
doi = {10.17188/1203712},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}