Materials Data on Bi4(BO4)3 by Materials Project

Dataset · Sat May 02 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1298631· OSTI ID:1298631

The Materials Project

Bi4(BO4)3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. B3+ is bonded to four equivalent O2- atoms to form BO4 tetrahedra that share corners with eight equivalent BiO6 pentagonal pyramids. All B–O bond lengths are 1.48 Å. Bi+3.75+ is bonded to six equivalent O2- atoms to form distorted BiO6 pentagonal pyramids that share corners with six equivalent BO4 tetrahedra and edges with three equivalent BiO6 pentagonal pyramids. There are three shorter (2.24 Å) and three longer (2.42 Å) Bi–O bond lengths. O2- is bonded in a distorted single-bond geometry to one B3+ and two equivalent Bi+3.75+ 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: 1298631
• Report Number(s): mp-769052
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Bi4(BO4)3
B-Bi-O