Materials Data on CrTe2 by Materials Project
CrTe2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two CrTe2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Cr4+ sites. In the first Cr4+ site, Cr4+ is bonded to six Te2- atoms to form edge-sharing CrTe6 octahedra. All Cr–Te bond lengths are 2.71 Å. In the second Cr4+ site, Cr4+ is bonded to six Te2- atoms to form edge-sharing CrTe6 octahedra. All Cr–Te bond lengths are 2.71 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three Cr4+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three Cr4+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Cr4+ atoms. In the fourth Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Cr4+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1284084
- Report Number(s):
- mp-685055
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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