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Title: Materials Data on MnCrTe2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1690955· OSTI ID:1690955

CrMnTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Te2- atoms to form CrTe6 octahedra that share corners with twelve equivalent MnTe6 octahedra, edges with six equivalent CrTe6 octahedra, and faces with two equivalent MnTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Cr–Te bond lengths are 2.81 Å. Mn2+ is bonded to six equivalent Te2- atoms to form MnTe6 octahedra that share corners with twelve equivalent CrTe6 octahedra, edges with six equivalent MnTe6 octahedra, and faces with two equivalent CrTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Mn–Te bond lengths are 2.84 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Cr2+ and three equivalent Mn2+ 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:
1690955
Report Number(s):
mp-1221774
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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