U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SnBiO4 by Materials Project
Abstract
SnBiO4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Sn3+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with four equivalent SnO6 octahedra and edges with four equivalent BiO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 23°. There are two shorter (2.10 Å) and four longer (2.14 Å) Sn–O bond lengths. Bi5+ is bonded to six O2- atoms to form distorted BiO6 pentagonal pyramids that share corners with four equivalent BiO6 pentagonal pyramids and edges with four equivalent SnO6 octahedra. There are four shorter (2.19 Å) and two longer (2.30 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Sn3+ and two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Sn3+ and one Bi5+ atom.
- Publication Date:
- Other Number(s):
- mp-754839
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Bi-O-Sn; SnBiO4; crystal structure
- OSTI Identifier:
- 1289597
- DOI:
- https://doi.org/10.17188/1289597
Citation Formats
Materials Data on SnBiO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289597.
Materials Data on SnBiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1289597
2020.
"Materials Data on SnBiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1289597. https://www.osti.gov/servlets/purl/1289597. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1289597,
title = {Materials Data on SnBiO4 by Materials Project},
abstractNote = {SnBiO4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Sn3+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with four equivalent SnO6 octahedra and edges with four equivalent BiO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 23°. There are two shorter (2.10 Å) and four longer (2.14 Å) Sn–O bond lengths. Bi5+ is bonded to six O2- atoms to form distorted BiO6 pentagonal pyramids that share corners with four equivalent BiO6 pentagonal pyramids and edges with four equivalent SnO6 octahedra. There are four shorter (2.19 Å) and two longer (2.30 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Sn3+ and two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Sn3+ and one Bi5+ atom.},
doi = {10.17188/1289597},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}