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Title: Materials Data on SrTa2Bi2O9 by Materials Project

Abstract

SrBi2Ta2O9 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. There are eight shorter (2.75 Å) and four longer (2.78 Å) Sr–O bond lengths. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with five equivalent TaO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are a spread of Ta–O bond distances ranging from 1.90–2.14 Å. Bi3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are four shorter (2.33 Å) and four longer (2.96 Å) Bi–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Ta5+ atoms to form amore » mixture of distorted edge and corner-sharing OSr4Ta2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Ta5+ and four equivalent Bi3+ atoms.« less

Publication Date:
Other Number(s):
mp-554675
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; SrTa2Bi2O9; Bi-O-Sr-Ta
OSTI Identifier:
1268031
DOI:
10.17188/1268031

Citation Formats

The Materials Project. Materials Data on SrTa2Bi2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268031.
The Materials Project. Materials Data on SrTa2Bi2O9 by Materials Project. United States. doi:10.17188/1268031.
The Materials Project. 2020. "Materials Data on SrTa2Bi2O9 by Materials Project". United States. doi:10.17188/1268031. https://www.osti.gov/servlets/purl/1268031. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1268031,
title = {Materials Data on SrTa2Bi2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {SrBi2Ta2O9 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. There are eight shorter (2.75 Å) and four longer (2.78 Å) Sr–O bond lengths. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with five equivalent TaO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are a spread of Ta–O bond distances ranging from 1.90–2.14 Å. Bi3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are four shorter (2.33 Å) and four longer (2.96 Å) Bi–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Ta5+ atoms to form a mixture of distorted edge and corner-sharing OSr4Ta2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Ta5+ and four equivalent Bi3+ atoms.},
doi = {10.17188/1268031},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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