Materials Data on Cu2WS4 by Materials Project

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

DOI:https://doi.org/10.17188/1312877· OSTI ID:1312877

The Materials Project

Cu2WS4 crystallizes in the tetragonal P-42m space group. The structure is two-dimensional and consists of one Cu2WS4 sheet oriented in the (0, 0, 1) direction. W6+ is bonded to four equivalent S2- atoms to form WS4 tetrahedra that share edges with four equivalent CuS4 tetrahedra. All W–S bond lengths are 2.25 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and edges with two equivalent WS4 tetrahedra. All Cu–S bond lengths are 2.33 Å. S2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Cu1+ 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: 1312877
• Report Number(s): mp-8976
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Cu2WS4
Cu-S-W