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Title: Materials Data on TeP2(N2O7)2 by Materials Project

Abstract

P2Te(N2O7)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one P2Te(N2O7)2 cluster. P5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.47 Å) and one longer (1.57 Å) P–O bond length. There are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.20 Å) and one longer (1.34 Å) N–O bond length. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.14 Å) and one longer (1.74 Å) N–O bond length. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.96–2.12 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N3+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fourth O2- site, O2- is bonded inmore » a single-bond geometry to one N3+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N3+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one P5+ and one Te6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N3+ and one Te6+ atom.« less

Publication Date:
Other Number(s):
mp-1179130
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; TeP2(N2O7)2; N-O-P-Te
OSTI Identifier:
1715132
DOI:
https://doi.org/10.17188/1715132

Citation Formats

The Materials Project. Materials Data on TeP2(N2O7)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1715132.
The Materials Project. Materials Data on TeP2(N2O7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1715132
The Materials Project. 2019. "Materials Data on TeP2(N2O7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1715132. https://www.osti.gov/servlets/purl/1715132. Pub date:Thu Sep 05 00:00:00 EDT 2019
@article{osti_1715132,
title = {Materials Data on TeP2(N2O7)2 by Materials Project},
author = {The Materials Project},
abstractNote = {P2Te(N2O7)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one P2Te(N2O7)2 cluster. P5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.47 Å) and one longer (1.57 Å) P–O bond length. There are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.20 Å) and one longer (1.34 Å) N–O bond length. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.14 Å) and one longer (1.74 Å) N–O bond length. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.96–2.12 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N3+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N3+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N3+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one P5+ and one Te6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N3+ and one Te6+ atom.},
doi = {10.17188/1715132},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {9}
}