Materials Data on KCaBi by Materials Project

Dataset · Thu Jul 23 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1301610· OSTI ID:1301610

The Materials Project

KCaBi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K is bonded in a 1-coordinate geometry to five equivalent Bi atoms. There are one shorter (3.63 Å) and four longer (4.06 Å) K–Bi bond lengths. Ca is bonded to four equivalent Bi atoms to form a mixture of edge and corner-sharing CaBi4 tetrahedra. All Ca–Bi bond lengths are 3.25 Å. Bi is bonded in a 9-coordinate geometry to five equivalent K and four equivalent Ca 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: 1301610
• Report Number(s): mp-773137
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
KCaBi
Bi-Ca-K