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Title: Materials Data on Fe2Si2BiO9 by Materials Project

Abstract

Fe2Si2BiO9 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Fe2Si2BiO9 sheet oriented in the (0, 0, 1) direction. Fe+2.50+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent SiO4 tetrahedra and edges with three equivalent FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.89–2.08 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent FeO6 octahedra and corners with three equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–56°. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. Bi5+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. All Bi–O bond lengths are 2.15 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe+2.50+ and one Bi5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe+2.50+ and one Bi5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe+2.50+ and one Si4+more » atom. In the fourth O2- site, O2- is bonded in a water-like geometry to two equivalent Fe+2.50+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1103601
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; Fe2Si2BiO9; Bi-Fe-O-Si
OSTI Identifier:
1687337
DOI:
https://doi.org/10.17188/1687337

Citation Formats

The Materials Project. Materials Data on Fe2Si2BiO9 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1687337.
The Materials Project. Materials Data on Fe2Si2BiO9 by Materials Project. United States. doi:https://doi.org/10.17188/1687337
The Materials Project. 2018. "Materials Data on Fe2Si2BiO9 by Materials Project". United States. doi:https://doi.org/10.17188/1687337. https://www.osti.gov/servlets/purl/1687337. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1687337,
title = {Materials Data on Fe2Si2BiO9 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe2Si2BiO9 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Fe2Si2BiO9 sheet oriented in the (0, 0, 1) direction. Fe+2.50+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent SiO4 tetrahedra and edges with three equivalent FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.89–2.08 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent FeO6 octahedra and corners with three equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–56°. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. Bi5+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. All Bi–O bond lengths are 2.15 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe+2.50+ and one Bi5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe+2.50+ and one Bi5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe+2.50+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to two equivalent Fe+2.50+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.},
doi = {10.17188/1687337},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}