Materials Data on ZnBSe2 by Materials Project

Dataset · Thu Jul 23 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1279217· OSTI ID:1279217

The Materials Project

ZnBSe2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zn is bonded to four equivalent B and four equivalent Se atoms to form distorted edge-sharing ZnB4Se4 tetrahedra. All Zn–B bond lengths are 2.81 Å. All Zn–Se bond lengths are 2.81 Å. B is bonded in a distorted body-centered cubic geometry to four equivalent Zn and four equivalent Se atoms. All B–Se bond lengths are 2.81 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded to four equivalent Zn atoms to form distorted corner-sharing SeZn4 tetrahedra. In the second Se site, Se is bonded in a 8-coordinate geometry to four equivalent B 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: 1279217
• Report Number(s): mp-631528
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
ZnBSe2
B-Se-Zn