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Title: Materials Data on Sn3P2(NO5)2 by Materials Project

Abstract

Sn3P2O9N2O crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of four hydroxylamine, o-amino- molecules and two Sn3P2O9 sheets oriented in the (0, 1, 0) direction. In each Sn3P2O9 sheet, there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four O2- atoms to form distorted SnO4 trigonal pyramids that share corners with three PO4 tetrahedra and edges with two equivalent SnO5 trigonal bipyramids. There are a spread of Sn–O bond distances ranging from 2.21–2.38 Å. In the second Sn4+ site, Sn4+ is bonded to five O2- atoms to form distorted SnO5 trigonal bipyramids that share corners with four PO4 tetrahedra, corners with two equivalent SnO5 trigonal bipyramids, an edgeedge with one SnO5 trigonal bipyramid, and an edgeedge with one SnO4 trigonal pyramid. There are a spread of Sn–O bond distances ranging from 2.04–2.36 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 four equivalent SnO5 trigonal bipyramids and a cornercorner with one SnO4 trigonal pyramid. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. In the second P5+ site,more » P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent SnO5 trigonal bipyramids and corners with two equivalent SnO4 trigonal pyramids. There are a spread of P–O bond distances ranging from 1.48–1.61 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Sn4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sn4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sn4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Sn4+ and one P5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1200976
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sn3P2(NO5)2; N-O-P-Sn
OSTI Identifier:
1705897
DOI:
https://doi.org/10.17188/1705897

Citation Formats

The Materials Project. Materials Data on Sn3P2(NO5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705897.
The Materials Project. Materials Data on Sn3P2(NO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1705897
The Materials Project. 2020. "Materials Data on Sn3P2(NO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1705897. https://www.osti.gov/servlets/purl/1705897. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1705897,
title = {Materials Data on Sn3P2(NO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sn3P2O9N2O crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of four hydroxylamine, o-amino- molecules and two Sn3P2O9 sheets oriented in the (0, 1, 0) direction. In each Sn3P2O9 sheet, there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four O2- atoms to form distorted SnO4 trigonal pyramids that share corners with three PO4 tetrahedra and edges with two equivalent SnO5 trigonal bipyramids. There are a spread of Sn–O bond distances ranging from 2.21–2.38 Å. In the second Sn4+ site, Sn4+ is bonded to five O2- atoms to form distorted SnO5 trigonal bipyramids that share corners with four PO4 tetrahedra, corners with two equivalent SnO5 trigonal bipyramids, an edgeedge with one SnO5 trigonal bipyramid, and an edgeedge with one SnO4 trigonal pyramid. There are a spread of Sn–O bond distances ranging from 2.04–2.36 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 four equivalent SnO5 trigonal bipyramids and a cornercorner with one SnO4 trigonal pyramid. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent SnO5 trigonal bipyramids and corners with two equivalent SnO4 trigonal pyramids. There are a spread of P–O bond distances ranging from 1.48–1.61 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Sn4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sn4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sn4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Sn4+ and one P5+ atom.},
doi = {10.17188/1705897},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}