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Title: Materials Data on Ga2P3H12(NO4)3 by Materials Project

Abstract

Ga2(PO4)3(NH4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of twelve ammonium molecules and one Ga2(PO4)3 framework. In the Ga2(PO4)3 framework, Ga3+ is bonded to five O2- atoms to form GaO5 trigonal bipyramids that share corners with five PO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.87–2.01 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent GaO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent GaO5 trigonal bipyramids. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ga3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ga3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distortedmore » bent 120 degrees geometry to one Ga3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ga3+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ga3+ and one P5+ atom.« less

Publication Date:
Other Number(s):
mp-758916
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; Ga2P3H12(NO4)3; Ga-H-N-O-P
OSTI Identifier:
1291302
DOI:
10.17188/1291302

Citation Formats

The Materials Project. Materials Data on Ga2P3H12(NO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291302.
The Materials Project. Materials Data on Ga2P3H12(NO4)3 by Materials Project. United States. doi:10.17188/1291302.
The Materials Project. 2020. "Materials Data on Ga2P3H12(NO4)3 by Materials Project". United States. doi:10.17188/1291302. https://www.osti.gov/servlets/purl/1291302. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1291302,
title = {Materials Data on Ga2P3H12(NO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ga2(PO4)3(NH4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of twelve ammonium molecules and one Ga2(PO4)3 framework. In the Ga2(PO4)3 framework, Ga3+ is bonded to five O2- atoms to form GaO5 trigonal bipyramids that share corners with five PO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.87–2.01 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent GaO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent GaO5 trigonal bipyramids. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ga3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ga3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ga3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ga3+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ga3+ and one P5+ atom.},
doi = {10.17188/1291302},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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