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Title: Materials Data on Sn6P3NO14 by Materials Project

Abstract

Sn6P3NO14 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Sn+2.67+ sites. In the first Sn+2.67+ site, Sn+2.67+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.12–2.19 Å. In the second Sn+2.67+ site, Sn+2.67+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.10–2.14 Å. In the third Sn+2.67+ site, Sn+2.67+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.14 Å) and two longer (2.16 Å) Sn–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ 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. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.58 Å. N3- is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of N–O bond distances ranging from 3.04–3.30 Å. There are seven inequivalent O2- sites. Inmore » the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn+2.67+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sn+2.67+ and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sn+2.67+, one P5+, and one N3- atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sn+2.67+, one P5+, and one N3- atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn+2.67+, one P5+, and one N3- atom. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to three Sn+2.67+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Sn+2.67+, one P5+, and one N3- atom.« less

Publication Date:
Other Number(s):
mp-1203414
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; Sn6P3NO14; N-O-P-Sn
OSTI Identifier:
1749554
DOI:
https://doi.org/10.17188/1749554

Citation Formats

The Materials Project. Materials Data on Sn6P3NO14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749554.
The Materials Project. Materials Data on Sn6P3NO14 by Materials Project. United States. doi:https://doi.org/10.17188/1749554
The Materials Project. 2020. "Materials Data on Sn6P3NO14 by Materials Project". United States. doi:https://doi.org/10.17188/1749554. https://www.osti.gov/servlets/purl/1749554. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1749554,
title = {Materials Data on Sn6P3NO14 by Materials Project},
author = {The Materials Project},
abstractNote = {Sn6P3NO14 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Sn+2.67+ sites. In the first Sn+2.67+ site, Sn+2.67+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.12–2.19 Å. In the second Sn+2.67+ site, Sn+2.67+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.10–2.14 Å. In the third Sn+2.67+ site, Sn+2.67+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.14 Å) and two longer (2.16 Å) Sn–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ 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. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.58 Å. N3- is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of N–O bond distances ranging from 3.04–3.30 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn+2.67+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sn+2.67+ and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sn+2.67+, one P5+, and one N3- atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sn+2.67+, one P5+, and one N3- atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn+2.67+, one P5+, and one N3- atom. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to three Sn+2.67+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Sn+2.67+, one P5+, and one N3- atom.},
doi = {10.17188/1749554},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}