Materials Data on CaClF by Materials Project
CaClF is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ca2+ is bonded in a 9-coordinate geometry to five equivalent Cl1- and four equivalent F1- atoms. There are four shorter (2.98 Å) and one longer (3.12 Å) Ca–Cl bond lengths. All Ca–F bond lengths are 2.38 Å. Cl1- is bonded in a 5-coordinate geometry to five equivalent Ca2+ atoms. F1- is bonded to four equivalent Ca2+ atoms to form a mixture of edge and corner-sharing FCa4 tetrahedra.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1201769
- Report Number(s):
- mp-27546
- Country of Publication:
- United States
- Language:
- English
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