Materials Data on Cd4Te3Se by Materials Project
Abstract
Cd4Te3Se is Lavarevi\'{c}ite-like structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form corner-sharing CdTe2Se2 tetrahedra. Both Cd–Te bond lengths are 2.86 Å. Both Cd–Se bond lengths are 2.74 Å. In the second Cd2+ site, Cd2+ is bonded to three Te2- and one Se2- atom to form corner-sharing CdTe3Se tetrahedra. There are two shorter (2.85 Å) and one longer (2.88 Å) Cd–Te bond lengths. The Cd–Se bond length is 2.71 Å. In the third Cd2+ site, Cd2+ is bonded to four Te2- atoms to form corner-sharing CdTe4 tetrahedra. There are two shorter (2.85 Å) and two longer (2.86 Å) Cd–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four Cd2+ atoms to form TeCd4 tetrahedra that share corners with four equivalent SeCd4 tetrahedra and corners with eight TeCd4 tetrahedra. In the second Te2- site, Te2- is bonded to four Cd2+ atoms to form TeCd4 tetrahedra that share corners with two equivalent SeCd4 tetrahedra and corners with ten TeCd4 tetrahedra. Se2- is bonded tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1226783
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Cd4Te3Se; Cd-Se-Te
- OSTI Identifier:
- 1745208
- DOI:
- https://doi.org/10.17188/1745208
Citation Formats
The Materials Project. Materials Data on Cd4Te3Se by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1745208.
The Materials Project. Materials Data on Cd4Te3Se by Materials Project. United States. doi:https://doi.org/10.17188/1745208
The Materials Project. 2020.
"Materials Data on Cd4Te3Se by Materials Project". United States. doi:https://doi.org/10.17188/1745208. https://www.osti.gov/servlets/purl/1745208. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1745208,
title = {Materials Data on Cd4Te3Se by Materials Project},
author = {The Materials Project},
abstractNote = {Cd4Te3Se is Lavarevi\'{c}ite-like structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form corner-sharing CdTe2Se2 tetrahedra. Both Cd–Te bond lengths are 2.86 Å. Both Cd–Se bond lengths are 2.74 Å. In the second Cd2+ site, Cd2+ is bonded to three Te2- and one Se2- atom to form corner-sharing CdTe3Se tetrahedra. There are two shorter (2.85 Å) and one longer (2.88 Å) Cd–Te bond lengths. The Cd–Se bond length is 2.71 Å. In the third Cd2+ site, Cd2+ is bonded to four Te2- atoms to form corner-sharing CdTe4 tetrahedra. There are two shorter (2.85 Å) and two longer (2.86 Å) Cd–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four Cd2+ atoms to form TeCd4 tetrahedra that share corners with four equivalent SeCd4 tetrahedra and corners with eight TeCd4 tetrahedra. In the second Te2- site, Te2- is bonded to four Cd2+ atoms to form TeCd4 tetrahedra that share corners with two equivalent SeCd4 tetrahedra and corners with ten TeCd4 tetrahedra. Se2- is bonded to four Cd2+ atoms to form SeCd4 tetrahedra that share corners with two equivalent SeCd4 tetrahedra and corners with ten TeCd4 tetrahedra.},
doi = {10.17188/1745208},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}