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Title: Materials Data on SrBi5O9 by Materials Project

Abstract

SrBi5O9 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one SrBi5O9 sheet oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–3.17 Å. There are five inequivalent Bi+3.20+ sites. In the first Bi+3.20+ site, Bi+3.20+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with two equivalent BiO5 square pyramids and edges with two equivalent BiO7 hexagonal pyramids. There are a spread of Bi–O bond distances ranging from 2.14–2.24 Å. In the second Bi+3.20+ site, Bi+3.20+ is bonded to four O2- atoms to form BiO4 trigonal pyramids that share a cornercorner with one BiO7 hexagonal pyramid and corners with six BiO4 trigonal pyramids. There are one shorter (2.08 Å) and three longer (2.32 Å) Bi–O bond lengths. In the third Bi+3.20+ site, Bi+3.20+ is bonded to seven O2- atoms to form distorted BiO7 hexagonal pyramids that share corners with three BiO4 trigonal pyramids, edges with two equivalent BiO7 hexagonal pyramids, and edges with two equivalent BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.34–2.65more » Å. In the fourth Bi+3.20+ site, Bi+3.20+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.62 Å. In the fifth Bi+3.20+ site, Bi+3.20+ is bonded to four O2- atoms to form BiO4 trigonal pyramids that share corners with two equivalent BiO7 hexagonal pyramids and corners with six BiO4 trigonal pyramids. There are a spread of Bi–O bond distances ranging from 2.07–2.34 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Bi+3.20+ atoms. In the second O2- site, O2- is bonded to one Sr2+ and three Bi+3.20+ atoms to form distorted OSrBi3 trigonal pyramids that share corners with six OSr2Bi2 tetrahedra, corners with two equivalent OSrBi3 trigonal pyramids, and edges with three OSrBi3 tetrahedra. In the third O2- site, O2- is bonded to one Sr2+ and three Bi+3.20+ atoms to form OSrBi3 tetrahedra that share corners with six OSrBi3 tetrahedra, edges with four OSr2Bi2 tetrahedra, and an edgeedge with one OSrBi3 trigonal pyramid. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Bi+3.20+ atoms. In the fifth O2- site, O2- is bonded to two equivalent Sr2+ and two Bi+3.20+ atoms to form distorted OSr2Bi2 tetrahedra that share corners with six OSr2Bi2 tetrahedra, corners with two equivalent OSrBi3 trigonal pyramids, and edges with three OSrBi3 tetrahedra. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+ and three Bi+3.20+ atoms. In the seventh O2- site, O2- is bonded to four Bi+3.20+ atoms to form distorted OBi4 tetrahedra that share corners with three OSr2Bi2 tetrahedra, corners with four equivalent OSrBi3 trigonal pyramids, and edges with three OSrBi3 tetrahedra. In the eighth O2- site, O2- is bonded to two equivalent Sr2+ and two Bi+3.20+ atoms to form OSr2Bi2 tetrahedra that share corners with nine OSrBi3 tetrahedra, edges with two OSr2Bi2 tetrahedra, and edges with two equivalent OSrBi3 trigonal pyramids. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three Bi+3.20+ atoms.« less

Publication Date:
Other Number(s):
mp-753357
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; SrBi5O9; Bi-O-Sr
OSTI Identifier:
1289001
DOI:
https://doi.org/10.17188/1289001

Citation Formats

The Materials Project. Materials Data on SrBi5O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289001.
The Materials Project. Materials Data on SrBi5O9 by Materials Project. United States. doi:https://doi.org/10.17188/1289001
The Materials Project. 2020. "Materials Data on SrBi5O9 by Materials Project". United States. doi:https://doi.org/10.17188/1289001. https://www.osti.gov/servlets/purl/1289001. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1289001,
title = {Materials Data on SrBi5O9 by Materials Project},
author = {The Materials Project},
abstractNote = {SrBi5O9 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one SrBi5O9 sheet oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–3.17 Å. There are five inequivalent Bi+3.20+ sites. In the first Bi+3.20+ site, Bi+3.20+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with two equivalent BiO5 square pyramids and edges with two equivalent BiO7 hexagonal pyramids. There are a spread of Bi–O bond distances ranging from 2.14–2.24 Å. In the second Bi+3.20+ site, Bi+3.20+ is bonded to four O2- atoms to form BiO4 trigonal pyramids that share a cornercorner with one BiO7 hexagonal pyramid and corners with six BiO4 trigonal pyramids. There are one shorter (2.08 Å) and three longer (2.32 Å) Bi–O bond lengths. In the third Bi+3.20+ site, Bi+3.20+ is bonded to seven O2- atoms to form distorted BiO7 hexagonal pyramids that share corners with three BiO4 trigonal pyramids, edges with two equivalent BiO7 hexagonal pyramids, and edges with two equivalent BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.34–2.65 Å. In the fourth Bi+3.20+ site, Bi+3.20+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.62 Å. In the fifth Bi+3.20+ site, Bi+3.20+ is bonded to four O2- atoms to form BiO4 trigonal pyramids that share corners with two equivalent BiO7 hexagonal pyramids and corners with six BiO4 trigonal pyramids. There are a spread of Bi–O bond distances ranging from 2.07–2.34 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Bi+3.20+ atoms. In the second O2- site, O2- is bonded to one Sr2+ and three Bi+3.20+ atoms to form distorted OSrBi3 trigonal pyramids that share corners with six OSr2Bi2 tetrahedra, corners with two equivalent OSrBi3 trigonal pyramids, and edges with three OSrBi3 tetrahedra. In the third O2- site, O2- is bonded to one Sr2+ and three Bi+3.20+ atoms to form OSrBi3 tetrahedra that share corners with six OSrBi3 tetrahedra, edges with four OSr2Bi2 tetrahedra, and an edgeedge with one OSrBi3 trigonal pyramid. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Bi+3.20+ atoms. In the fifth O2- site, O2- is bonded to two equivalent Sr2+ and two Bi+3.20+ atoms to form distorted OSr2Bi2 tetrahedra that share corners with six OSr2Bi2 tetrahedra, corners with two equivalent OSrBi3 trigonal pyramids, and edges with three OSrBi3 tetrahedra. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+ and three Bi+3.20+ atoms. In the seventh O2- site, O2- is bonded to four Bi+3.20+ atoms to form distorted OBi4 tetrahedra that share corners with three OSr2Bi2 tetrahedra, corners with four equivalent OSrBi3 trigonal pyramids, and edges with three OSrBi3 tetrahedra. In the eighth O2- site, O2- is bonded to two equivalent Sr2+ and two Bi+3.20+ atoms to form OSr2Bi2 tetrahedra that share corners with nine OSrBi3 tetrahedra, edges with two OSr2Bi2 tetrahedra, and edges with two equivalent OSrBi3 trigonal pyramids. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three Bi+3.20+ atoms.},
doi = {10.17188/1289001},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}