Materials Data on MnTe by Materials Project
MnTe is Hausmannite-like structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six Te2- atoms to form distorted MnTe6 octahedra that share corners with nine MnTe4 tetrahedra, edges with six MnTe6 octahedra, and a faceface with one MnTe4 tetrahedra. There are a spread of Mn–Te bond distances ranging from 2.76–3.15 Å. In the second Mn2+ site, Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with nine MnTe6 octahedra, corners with two equivalent MnTe4 tetrahedra, edges with two equivalent MnTe4 tetrahedra, and a faceface with one MnTe6 octahedra. The corner-sharing octahedra tilt angles range from 53–61°. There are a spread of Mn–Te bond distances ranging from 2.61–2.71 Å. In the third Mn2+ site, Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with nine MnTe6 octahedra, corners with two equivalent MnTe4 tetrahedra, edges with two equivalent MnTe4 tetrahedra, and a faceface with one MnTe6 octahedra. The corner-sharing octahedra tilt angles range from 53–61°. There are a spread of Mn–Te bond distances ranging from 2.61–2.70 Å. In the fourth Mn2+ site, Mn2+ is bonded to six Te2- atoms to form distorted MnTe6 octahedra that share corners with nine MnTe4 tetrahedra, edges with six MnTe6 octahedra, and a faceface with one MnTe4 tetrahedra. There are a spread of Mn–Te bond distances ranging from 2.77–3.14 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four Mn2+ atoms to form a mixture of distorted corner and edge-sharing TeMn4 trigonal pyramids. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to six Mn2+ atoms. In the third Te2- site, Te2- is bonded to four Mn2+ atoms to form a mixture of distorted corner and edge-sharing TeMn4 trigonal pyramids. In the fourth Te2- site, Te2- is bonded in a 6-coordinate geometry to six 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:
- 1281878
- Report Number(s):
- mp-672389
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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