Materials Data on BaSi2(NO)2 by Materials Project

Dataset · Sun Jan 13 00:00:00 EST 2019

DOI:https://doi.org/10.17188/1653441· OSTI ID:1653441

The Materials Project

BaSi2O2N2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.77–3.04 Å. Si4+ is bonded to three equivalent N3- and one O2- atom to form corner-sharing SiN3O tetrahedra. There is one shorter (1.75 Å) and two longer (1.76 Å) Si–N bond length. The Si–O bond length is 1.63 Å. N3- is bonded in a trigonal planar geometry to three equivalent Si4+ atoms. O2- is bonded in a distorted single-bond geometry to four equivalent Ba2+ and one Si4+ atom.

• 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: 1653441
• Report Number(s): mp-1227822
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
BaSi2(NO)2
Ba-N-O-Si