Materials Data on YSeF by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1269178· OSTI ID:1269178

The Materials Project

YSeF crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 2-coordinate geometry to five equivalent Se2- and two equivalent F1- atoms. There are a spread of Y–Se bond distances ranging from 2.87–3.17 Å. There are one shorter (2.17 Å) and one longer (2.18 Å) Y–F bond lengths. Se2- is bonded to five equivalent Y3+ and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing SeY5F3 hexagonal bipyramids. There are a spread of Se–F bond distances ranging from 3.00–3.18 Å. F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Y3+ and three equivalent Se2- 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: 1269178
• Report Number(s): mp-556111
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
YSeF
F-Se-Y