U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr3Bi(ClO)3 by Materials Project
Abstract
BiSr3O3Cl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to three O2- and five Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.59 Å. There are a spread of Sr–Cl bond distances ranging from 3.03–3.54 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to three O2- and four Cl1- atoms. There are one shorter (2.45 Å) and two longer (2.52 Å) Sr–O bond lengths. There are a spread of Sr–Cl bond distances ranging from 2.91–3.30 Å. Bi3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.11 Å) and two longer (2.12 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sr2+ and one Bi3+ atom to form a mixture of distorted corner and edge-sharing OSr3Bi tetrahedra. In the second O2- site, O2- is bonded to three Sr2+ and one Bi3+ atom to form a mixture of distorted corner and edge-sharing OSr3Bi tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site,more »
- Publication Date:
- Other Number(s):
- mp-558642
- 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-Cl-O-Sr; Sr3Bi(ClO)3; crystal structure
- OSTI Identifier:
- 1270434
- DOI:
- https://doi.org/10.17188/1270434
Citation Formats
Materials Data on Sr3Bi(ClO)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270434.
Materials Data on Sr3Bi(ClO)3 by Materials Project. United States. doi:https://doi.org/10.17188/1270434
2020.
"Materials Data on Sr3Bi(ClO)3 by Materials Project". United States. doi:https://doi.org/10.17188/1270434. https://www.osti.gov/servlets/purl/1270434. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1270434,
title = {Materials Data on Sr3Bi(ClO)3 by Materials Project},
abstractNote = {BiSr3O3Cl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to three O2- and five Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.59 Å. There are a spread of Sr–Cl bond distances ranging from 3.03–3.54 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to three O2- and four Cl1- atoms. There are one shorter (2.45 Å) and two longer (2.52 Å) Sr–O bond lengths. There are a spread of Sr–Cl bond distances ranging from 2.91–3.30 Å. Bi3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.11 Å) and two longer (2.12 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sr2+ and one Bi3+ atom to form a mixture of distorted corner and edge-sharing OSr3Bi tetrahedra. In the second O2- site, O2- is bonded to three Sr2+ and one Bi3+ atom to form a mixture of distorted corner and edge-sharing OSr3Bi tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four Sr2+ atoms. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six Sr2+ atoms.},
doi = {10.17188/1270434},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}