Materials Data on Bi2SeO2 by Materials Project

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

DOI:https://doi.org/10.17188/1267566· OSTI ID:1267566

The Materials Project

Bi2O2Se crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Bi3+ is bonded in a 5-coordinate geometry to one Se2- and four equivalent O2- atoms. The Bi–Se bond length is 3.30 Å. All Bi–O bond lengths are 2.90 Å. Se2- is bonded in a square co-planar geometry to two equivalent Bi3+ and four equivalent O2- atoms. All Se–O bond lengths are 2.08 Å. O2- is bonded to four equivalent Bi3+ and two equivalent Se2- atoms to form a mixture of distorted corner, edge, and face-sharing OBi4Se2 octahedra. The corner-sharing octahedral tilt angles are 0°.

• 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: 1267566
• Report Number(s): mp-552265
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Bi2SeO2
Bi-O-Se