U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr5(BiO4)3 by Materials Project
Abstract
Sr5(BiO4)3 is (Cubic) Perovskite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to twelve O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with two equivalent SrO6 octahedra, and faces with six BiO6 octahedra. There are a spread of Sr–O bond distances ranging from 3.01–3.17 Å. In the second Sr site, Sr is bonded to six O atoms to form SrO6 octahedra that share corners with six BiO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.30 Å) and two longer (2.31 Å) Sr–O bond lengths. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded to six O atoms to form BiO6 octahedra that share corners with two equivalent SrO6 octahedra, corners with four equivalent BiO6 octahedra, and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.06 Å) and four longer (2.18 Å) Bi–O bond lengths. In the second Bi site, Bi is bondedmore »
- Publication Date:
- Other Number(s):
- mp-1218431
- 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-Sr; Sr5(BiO4)3; crystal structure
- OSTI Identifier:
- 1720617
- DOI:
- https://doi.org/10.17188/1720617
Citation Formats
Materials Data on Sr5(BiO4)3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1720617.
Materials Data on Sr5(BiO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1720617
2019.
"Materials Data on Sr5(BiO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1720617. https://www.osti.gov/servlets/purl/1720617. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1720617,
title = {Materials Data on Sr5(BiO4)3 by Materials Project},
abstractNote = {Sr5(BiO4)3 is (Cubic) Perovskite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to twelve O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with two equivalent SrO6 octahedra, and faces with six BiO6 octahedra. There are a spread of Sr–O bond distances ranging from 3.01–3.17 Å. In the second Sr site, Sr is bonded to six O atoms to form SrO6 octahedra that share corners with six BiO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.30 Å) and two longer (2.31 Å) Sr–O bond lengths. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded to six O atoms to form BiO6 octahedra that share corners with two equivalent SrO6 octahedra, corners with four equivalent BiO6 octahedra, and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.06 Å) and four longer (2.18 Å) Bi–O bond lengths. In the second Bi site, Bi is bonded to six O atoms to form BiO6 octahedra that share corners with two equivalent BiO6 octahedra, corners with four equivalent SrO6 octahedra, and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.07 Å) and two longer (2.18 Å) Bi–O bond lengths. In the third Bi site, Bi is bonded to six O atoms to form BiO6 octahedra that share corners with six BiO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–O bond lengths are 2.19 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to five Sr and one Bi atom. In the second O site, O is bonded to four equivalent Sr and two Bi atoms to form distorted OSr4Bi2 octahedra that share corners with fourteen OSr4Bi2 octahedra and faces with four equivalent OSr5Bi octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the third O site, O is bonded to five Sr and one Bi atom to form distorted OSr5Bi octahedra that share corners with six OSr4Bi2 octahedra, edges with two equivalent OSr5Bi octahedra, and faces with six OSr4Bi2 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the fourth O site, O is bonded in a distorted linear geometry to four equivalent Sr and two Bi atoms.},
doi = {10.17188/1720617},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 04:00:00 UTC 2019},
month = {Sat Jan 12 04:00:00 UTC 2019}
}