U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MnCd3Te4 by Materials Project
Abstract
MnCd3Te4 is Chalcopyrite-like structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with two equivalent MnTe4 tetrahedra and corners with ten CdTe4 tetrahedra. There are two shorter (2.74 Å) and two longer (2.76 Å) Mn–Te bond lengths. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra and corners with eight CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.86–2.88 Å. In the second Cd2+ site, Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with two equivalent MnTe4 tetrahedra and corners with ten CdTe4 tetrahedra. There are two shorter (2.85 Å) and two longer (2.87 Å) Cd–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Mn2+ and three Cd2+ atoms to form corner-sharing TeMnCd3 tetrahedra. In the second Te2- site, Te2- is bonded to four Cd2+ atoms to form corner-sharing TeCd4 tetrahedra. In the third Te2- site, Te2- is bonded to twomore »
- Publication Date:
- Other Number(s):
- mp-1221667
- 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; Cd-Mn-Te; MnCd3Te4; crystal structure
- OSTI Identifier:
- 1698512
- DOI:
- https://doi.org/10.17188/1698512
Citation Formats
Materials Data on MnCd3Te4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1698512.
Materials Data on MnCd3Te4 by Materials Project. United States. doi:https://doi.org/10.17188/1698512
2020.
"Materials Data on MnCd3Te4 by Materials Project". United States. doi:https://doi.org/10.17188/1698512. https://www.osti.gov/servlets/purl/1698512. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1698512,
title = {Materials Data on MnCd3Te4 by Materials Project},
abstractNote = {MnCd3Te4 is Chalcopyrite-like structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with two equivalent MnTe4 tetrahedra and corners with ten CdTe4 tetrahedra. There are two shorter (2.74 Å) and two longer (2.76 Å) Mn–Te bond lengths. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra and corners with eight CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.86–2.88 Å. In the second Cd2+ site, Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with two equivalent MnTe4 tetrahedra and corners with ten CdTe4 tetrahedra. There are two shorter (2.85 Å) and two longer (2.87 Å) Cd–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Mn2+ and three Cd2+ atoms to form corner-sharing TeMnCd3 tetrahedra. In the second Te2- site, Te2- is bonded to four Cd2+ atoms to form corner-sharing TeCd4 tetrahedra. In the third Te2- site, Te2- is bonded to two equivalent Mn2+ and two equivalent Cd2+ atoms to form corner-sharing TeMn2Cd2 tetrahedra.},
doi = {10.17188/1698512},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}