Skip to main content
OSTI.GOVU.S. Department of Energy Office of Scientific and Technical Information
U.S. Department of Energy
Office of Scientific and Technical Information
 

Materials Data on SrBi3I3O4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1742575· OSTI ID:1742575
SrBiO2I(BiOI)2 crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two BiOI sheets oriented in the (0, 0, 1) direction and two SrBiO2I sheets oriented in the (0, 0, 1) direction. In each BiOI sheet, there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent I1- atoms. All Bi–O bond lengths are 2.34 Å. All Bi–I bond lengths are 3.48 Å. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent I1- atoms. All Bi–O bond lengths are 2.40 Å. All Bi–I bond lengths are 3.38 Å. O2- is bonded to four Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to four equivalent Bi3+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to four equivalent Bi3+ atoms. In each SrBiO2I sheet, Sr2+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent I1- atoms. All Sr–O bond lengths are 2.51 Å. All Sr–I bond lengths are 3.44 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.24 Å. O2- is bonded to two equivalent Sr2+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OSr2Bi2 tetrahedra. I1- is bonded in a 4-coordinate geometry to four equivalent Sr2+ atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1742575
Report Number(s):
mp-1218434
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on SrBiIO2 by Materials Project
Dataset · Thu Jul 16 00:00:00 EDT 2020 · OSTI ID:1267572
Materials Data on SrBi3Br3O4 by Materials Project
Dataset · Sun May 03 00:00:00 EDT 2020 · OSTI ID:1726515
Materials Data on BiIO by Materials Project
Dataset · Thu Jul 16 00:00:00 EDT 2020 · OSTI ID:1199140

Related Subjects

36 MATERIALS SCIENCE
Bi-I-O-Sr
SrBi3I3O4
crystal structure