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Title: Materials Data on Sn2P2O7 by Materials Project

Abstract

Sn2P2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sn2+ is bonded to five O2- atoms to form distorted SnO5 square pyramids that share corners with five equivalent PO4 tetrahedra and edges with two equivalent SnO5 square pyramids. There are a spread of Sn–O bond distances ranging from 2.29–2.57 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with five equivalent SnO5 square pyramids and a cornercorner with one PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Sn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sn2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms.

Publication Date:
Other Number(s):
mp-755619
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; Sn2P2O7; O-P-Sn
OSTI Identifier:
1290110
DOI:
10.17188/1290110

Citation Formats

The Materials Project. Materials Data on Sn2P2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290110.
The Materials Project. Materials Data on Sn2P2O7 by Materials Project. United States. doi:10.17188/1290110.
The Materials Project. 2020. "Materials Data on Sn2P2O7 by Materials Project". United States. doi:10.17188/1290110. https://www.osti.gov/servlets/purl/1290110. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290110,
title = {Materials Data on Sn2P2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Sn2P2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sn2+ is bonded to five O2- atoms to form distorted SnO5 square pyramids that share corners with five equivalent PO4 tetrahedra and edges with two equivalent SnO5 square pyramids. There are a spread of Sn–O bond distances ranging from 2.29–2.57 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with five equivalent SnO5 square pyramids and a cornercorner with one PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Sn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sn2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms.},
doi = {10.17188/1290110},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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