Materials Data on CaWF4 by Materials Project

Dataset · Mon Aug 03 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1319114· OSTI ID:1319114

The Materials Project

CaWF4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.41 Å) and four longer (2.42 Å) Ca–F bond lengths. W2+ is bonded in a square co-planar geometry to four F1- atoms. All W–F bond lengths are 2.15 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Ca2+ and one W2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Ca2+ and one W2+ 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: 1319114
• Report Number(s): mvc-14340
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
CaWF4
Ca-F-W