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Title: Materials Data on Sn2PClO4 by Materials Project

Abstract

Sn2PO4Cl crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Sn2+ is bonded in a 3-coordinate geometry to three O2- and two equivalent Cl1- atoms. There are a spread of Sn–O bond distances ranging from 2.19–2.37 Å. There are one shorter (3.13 Å) and one longer (3.14 Å) Sn–Cl bond lengths. 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. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sn2+ and one P5+ atom. Cl1- is bonded in a 4-coordinate geometry to four equivalent Sn2+ atoms.

Publication Date:
Other Number(s):
mp-555836
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; Sn2PClO4; Cl-O-P-Sn
OSTI Identifier:
1269014
DOI:
10.17188/1269014

Citation Formats

The Materials Project. Materials Data on Sn2PClO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269014.
The Materials Project. Materials Data on Sn2PClO4 by Materials Project. United States. doi:10.17188/1269014.
The Materials Project. 2020. "Materials Data on Sn2PClO4 by Materials Project". United States. doi:10.17188/1269014. https://www.osti.gov/servlets/purl/1269014. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1269014,
title = {Materials Data on Sn2PClO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sn2PO4Cl crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Sn2+ is bonded in a 3-coordinate geometry to three O2- and two equivalent Cl1- atoms. There are a spread of Sn–O bond distances ranging from 2.19–2.37 Å. There are one shorter (3.13 Å) and one longer (3.14 Å) Sn–Cl bond lengths. 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. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sn2+ and one P5+ atom. Cl1- is bonded in a 4-coordinate geometry to four equivalent Sn2+ atoms.},
doi = {10.17188/1269014},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

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