Materials Data on CaF2 by Materials Project
CaF2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Ca2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Ca–F bond distances ranging from 2.22–2.44 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ca2+ atoms. In the second F1- site, F1- is bonded in a distorted T-shaped geometry to three equivalent Ca2+ 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:
- 1271228
- Report Number(s):
- mp-560030
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on NaCa2SiO4F by Materials Project
Materials Data on Na5Ca7Zr2Ti2Si8(O5F)6 by Materials Project
Materials Data on Ca8Bi12O25 by Materials Project
Dataset
·
Thu Sep 03 00:00:00 EDT 2020
·
OSTI ID:1271228
Materials Data on Na5Ca7Zr2Ti2Si8(O5F)6 by Materials Project
Dataset
·
Thu Apr 30 00:00:00 EDT 2020
·
OSTI ID:1271228
Materials Data on Ca8Bi12O25 by Materials Project
Dataset
·
Sat May 31 00:00:00 EDT 2014
·
OSTI ID:1271228