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Title: Materials Data on Ag4Te(PO7)2 by Materials Project

Abstract

Ag4Te(PO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ag3+ sites. In the first Ag3+ site, Ag3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.01–2.08 Å. In the second Ag3+ site, Ag3+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.07–2.13 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.52–1.57 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.05 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Ag3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ag3+ and one Te6+ atom. In the fourth O2- site, O2- is bonded inmore » a trigonal planar geometry to two Ag3+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ag3+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Ag3+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ag3+ and one P5+ atom.« less

Publication Date:
Other Number(s):
mp-1182984
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; Ag4Te(PO7)2; Ag-O-P-Te
OSTI Identifier:
1724944
DOI:
https://doi.org/10.17188/1724944

Citation Formats

The Materials Project. Materials Data on Ag4Te(PO7)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1724944.
The Materials Project. Materials Data on Ag4Te(PO7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1724944
The Materials Project. 2020. "Materials Data on Ag4Te(PO7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1724944. https://www.osti.gov/servlets/purl/1724944. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1724944,
title = {Materials Data on Ag4Te(PO7)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag4Te(PO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ag3+ sites. In the first Ag3+ site, Ag3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.01–2.08 Å. In the second Ag3+ site, Ag3+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.07–2.13 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.52–1.57 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.05 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Ag3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ag3+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two Ag3+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ag3+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Ag3+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ag3+ and one P5+ atom.},
doi = {10.17188/1724944},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}