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Title: Materials Data on NaGe4(PO4)3 by Materials Project

Abstract

NaGe4(PO4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Na1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Na–O bond distances ranging from 2.54–2.75 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Ge–O bond lengths are 1.96 Å. In the second Ge4+ site, Ge4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Ge–O bond distances ranging from 1.95–1.99 Å. P+2.33+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ge4+, and one P+2.33+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Ge4+, and one P+2.33+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ge4+ and one P+2.33+ atom. In the fourth O2- site, O2- is bonded in amore » 2-coordinate geometry to one Na1+, one Ge4+, and one P+2.33+ atom.« less

Publication Date:
Other Number(s):
mp-558862
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; NaGe4(PO4)3; Ge-Na-O-P
OSTI Identifier:
1270533
DOI:
https://doi.org/10.17188/1270533

Citation Formats

The Materials Project. Materials Data on NaGe4(PO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270533.
The Materials Project. Materials Data on NaGe4(PO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1270533
The Materials Project. 2020. "Materials Data on NaGe4(PO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1270533. https://www.osti.gov/servlets/purl/1270533. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1270533,
title = {Materials Data on NaGe4(PO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaGe4(PO4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Na1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Na–O bond distances ranging from 2.54–2.75 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Ge–O bond lengths are 1.96 Å. In the second Ge4+ site, Ge4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Ge–O bond distances ranging from 1.95–1.99 Å. P+2.33+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ge4+, and one P+2.33+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Ge4+, and one P+2.33+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ge4+ and one P+2.33+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Ge4+, and one P+2.33+ atom.},
doi = {10.17188/1270533},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}