Materials Data on KTb3F10 by Materials Project

Dataset · Mon Jul 20 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1192725· OSTI ID:1192725

The Materials Project

KTb3F10 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to sixteen F1- atoms to form distorted edge-sharing KF16 tetrahedra. There are four shorter (2.81 Å) and twelve longer (3.25 Å) K–F bond lengths. Tb3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.23 Å) and four longer (2.39 Å) Tb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to one K1+ and three equivalent Tb3+ atoms to form a mixture of distorted edge and corner-sharing FKTb3 tetrahedra. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent K1+ and two equivalent Tb3+ 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: 1192725
• Report Number(s): mp-17838
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
KTb3F10
F-K-Tb