U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zr2SiTe2As by Materials Project
Abstract
Zr2SiAsTe2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Zr2SiAsTe2 sheet oriented in the (0, 0, 1) direction. Zr3+ is bonded to two equivalent Si4- and four equivalent Te2- atoms to form a mixture of distorted corner, edge, and face-sharing ZrSi2Te4 pentagonal pyramids. Both Zr–Si bond lengths are 2.81 Å. All Zr–Te bond lengths are 3.00 Å. Si4- is bonded to four equivalent Zr3+ and four equivalent As2+ atoms to form a mixture of distorted corner and face-sharing SiZr4As4 hexagonal bipyramids. All Si–As bond lengths are 2.65 Å. As2+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. Te2- is bonded in a 4-coordinate geometry to four equivalent Zr3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1215465
- 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; As-Si-Te-Zr; Zr2SiTe2As; crystal structure
- OSTI Identifier:
- 1699172
- DOI:
- https://doi.org/10.17188/1699172
Citation Formats
Materials Data on Zr2SiTe2As by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1699172.
Materials Data on Zr2SiTe2As by Materials Project. United States. doi:https://doi.org/10.17188/1699172
2020.
"Materials Data on Zr2SiTe2As by Materials Project". United States. doi:https://doi.org/10.17188/1699172. https://www.osti.gov/servlets/purl/1699172. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1699172,
title = {Materials Data on Zr2SiTe2As by Materials Project},
abstractNote = {Zr2SiAsTe2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Zr2SiAsTe2 sheet oriented in the (0, 0, 1) direction. Zr3+ is bonded to two equivalent Si4- and four equivalent Te2- atoms to form a mixture of distorted corner, edge, and face-sharing ZrSi2Te4 pentagonal pyramids. Both Zr–Si bond lengths are 2.81 Å. All Zr–Te bond lengths are 3.00 Å. Si4- is bonded to four equivalent Zr3+ and four equivalent As2+ atoms to form a mixture of distorted corner and face-sharing SiZr4As4 hexagonal bipyramids. All Si–As bond lengths are 2.65 Å. As2+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. Te2- is bonded in a 4-coordinate geometry to four equivalent Zr3+ atoms.},
doi = {10.17188/1699172},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}