Materials Data on MnZnCdTe3 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1717731· OSTI ID:1717731

MnCdZnTe3 is Stannite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra, corners with four equivalent CdTe4 tetrahedra, and corners with four equivalent ZnTe4 tetrahedra. All Mn–Te bond lengths are 2.74 Å. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra, corners with four equivalent CdTe4 tetrahedra, and corners with four equivalent ZnTe4 tetrahedra. All Cd–Te bond lengths are 2.85 Å. Zn2+ is bonded to four Te2- atoms to form ZnTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra, corners with four equivalent CdTe4 tetrahedra, and corners with four equivalent ZnTe4 tetrahedra. There are two shorter (2.70 Å) and two longer (2.72 Å) Zn–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Mn2+ and two equivalent Zn2+ atoms to form corner-sharing TeMn2Zn2 tetrahedra. In the second Te2- site, Te2- is bonded to two equivalent Mn2+ and two equivalent Cd2+ atoms to form corner-sharing TeMn2Cd2 tetrahedra. In the third Te2- site, Te2- is bonded to two equivalent Cd2+ and two equivalent Zn2+ atoms to form corner-sharing TeZn2Cd2 tetrahedra.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1717731
• Report Number(s): mp-1221520
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cd-Mn-Te-Zn
MnZnCdTe3
crystal structure