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Title: Materials Data on SnAs2O9 by Materials Project

Abstract

(Sn(AsO4)2)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four water molecules and two Sn(AsO4)2 sheets oriented in the (0, 0, 1) direction. In each Sn(AsO4)2 sheet, Sn is bonded to six O atoms to form SnO6 octahedra that share corners with six AsO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.06–2.15 Å. There are two inequivalent As sites. In the first As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with three equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 47–50°. There is three shorter (1.72 Å) and one longer (1.76 Å) As–O bond length. In the second As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with three equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There is three shorter (1.72 Å) and one longer (1.76 Å) As–O bond length. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Sn and one As atom. In the second O site, O is bonded in a distorted bentmore » 150 degrees geometry to one Sn and one As atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Sn and one As atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Sn and one As atom. In the fifth O site, O is bonded in a single-bond geometry to one As atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Sn and one As atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Sn and one As atom. In the eighth O site, O is bonded in a single-bond geometry to one As atom.« less

Publication Date:
Other Number(s):
mp-1209694
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; SnAs2O9; As-O-Sn
OSTI Identifier:
1694545
DOI:
https://doi.org/10.17188/1694545

Citation Formats

The Materials Project. Materials Data on SnAs2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1694545.
The Materials Project. Materials Data on SnAs2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1694545
The Materials Project. 2020. "Materials Data on SnAs2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1694545. https://www.osti.gov/servlets/purl/1694545. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1694545,
title = {Materials Data on SnAs2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {(Sn(AsO4)2)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four water molecules and two Sn(AsO4)2 sheets oriented in the (0, 0, 1) direction. In each Sn(AsO4)2 sheet, Sn is bonded to six O atoms to form SnO6 octahedra that share corners with six AsO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.06–2.15 Å. There are two inequivalent As sites. In the first As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with three equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 47–50°. There is three shorter (1.72 Å) and one longer (1.76 Å) As–O bond length. In the second As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with three equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There is three shorter (1.72 Å) and one longer (1.76 Å) As–O bond length. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Sn and one As atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Sn and one As atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Sn and one As atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Sn and one As atom. In the fifth O site, O is bonded in a single-bond geometry to one As atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Sn and one As atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Sn and one As atom. In the eighth O site, O is bonded in a single-bond geometry to one As atom.},
doi = {10.17188/1694545},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}