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 InSn3Se4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1730443· OSTI ID:1730443
InSnSe2(SnSe)2 crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one InSnSe2 sheet oriented in the (0, 0, 1) direction and one SnSe sheet oriented in the (0, 0, 1) direction. In the InSnSe2 sheet, In2+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of In–Se bond distances ranging from 2.80–3.41 Å. Sn2+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are two shorter (2.79 Å) and one longer (2.82 Å) Sn–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to one In2+ and two equivalent Sn2+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent In2+ and one Sn2+ atom. In the SnSe sheet, there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are one shorter (2.77 Å) and two longer (2.81 Å) Sn–Se bond lengths. In the second Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are one shorter (2.80 Å) and two longer (2.81 Å) Sn–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three Sn2+ atoms. In the second Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three Sn2+ 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:
1730443
Report Number(s):
mp-1223673
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on Sn4TeSe3 by Materials Project
Dataset · Mon May 04 00:00:00 EDT 2020 · OSTI ID:1717538
Materials Data on SnGeSe2 by Materials Project
Dataset · Sun May 03 00:00:00 EDT 2020 · OSTI ID:1711799
Materials Data on Sn2SeS by Materials Project
Dataset · Thu Jul 23 00:00:00 EDT 2020 · OSTI ID:1667147

Related Subjects

36 MATERIALS SCIENCE
In-Se-Sn
InSn3Se4
crystal structure