Materials Data on Sn2SeS by Materials Project
Sn2SeS crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of two Sn2SeS sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to one Se2- and two equivalent S2- atoms. The Sn–Se bond length is 2.80 Å. Both Sn–S bond lengths are 2.71 Å. In the second Sn2+ site, Sn2+ is bonded to four equivalent Se2- and one S2- atom to form a mixture of distorted edge and corner-sharing SnSe4S square pyramids. There are two shorter (2.81 Å) and two longer (3.32 Å) Sn–Se bond lengths. The Sn–S bond length is 2.66 Å. Se2- is bonded in a 3-coordinate geometry to five Sn2+ atoms. S2- is bonded in a 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:
- 1667147
- Report Number(s):
- mp-1218960
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on InSn3Se4 by Materials Project
Materials Data on SnGeSe2 by Materials Project
Materials Data on GaSnSe2 by Materials Project
Dataset
·
Mon May 04 00:00:00 EDT 2020
·
OSTI ID:1730443
Materials Data on SnGeSe2 by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1711799
Materials Data on GaSnSe2 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1687099