Materials Data on Zn4B6SeO12 by Materials Project

Dataset · Tue Jul 14 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1190965· OSTI ID:1190965

The Materials Project

Zn4B6SeO12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Zn2+ is bonded in a 4-coordinate geometry to one Se2- and three equivalent O2- atoms. The Zn–Se bond length is 2.38 Å. All Zn–O bond lengths are 1.99 Å. B3+ is bonded to four equivalent O2- atoms to form corner-sharing BO4 tetrahedra. All B–O bond lengths are 1.49 Å. Se2- is bonded in a tetrahedral geometry to four equivalent Zn2+ atoms. O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two equivalent B3+ 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: 1190965
• Report Number(s): mp-14921
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Zn4B6SeO12
B-O-Se-Zn