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Barium fluoride

Barium fluoride
Barium fluoride
Identifiers
7787-32-8 YesY
3D model (Jmol) Interactive image
ChemSpider 56421 YesY
ECHA InfoCard 100.029.189
PubChem 62670
RTECS number CQ9100000
Properties
BaF2
Molar mass 175.34 g/mol
Appearance white cubic crystals
Density 4.893 g/cm3
Melting point 1,368 °C (2,494 °F; 1,641 K)
Boiling point 2,260 °C (4,100 °F; 2,530 K)
0.16 g/100 mL (20 °C)
Solubility soluble in methanol, ethanol
-51.0·10−6 cm3/mol
1.455
Structure
Fluorite (cubic), cF12
Fm3m, No. 225
Hazards
Harmful (Xn)
R-phrases R20/22
S-phrases (S2), S28
NFPA 704
Flammability code 0: Will not burn. E.g., water Health code 3: Short exposure could cause serious temporary or residual injury. E.g., chlorine gas Reactivity code 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g., liquid nitrogen Special hazards (white): no codeNFPA 704 four-colored diamond
Flash point Non-flammable
Lethal dose or concentration (LD, LC):
LD50 (median dose)
250 mg/kg, oral (rat)
Related compounds
Other anions
Barium chloride
Barium bromide
Barium iodide
Other cations
Beryllium fluoride
Magnesium fluoride
Calcium fluoride
Strontium fluoride
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N  (what is YesYN ?)
Infobox references

Barium fluoride (BaF2) is a chemical compound of barium and fluorine and is a salt. It is a solid which can be a transparent crystal. It occurs in nature as the mineral frankdicksonite.

The solid adopts the fluorite structure and at high pressure the PbCl2 structure. In the vapor phase the BaF2 molecule is non-linear with an F-Ba-F angle of approximately 108°. This is an exception to VSEPR theory which would predict a linear structure. Ab initio calculations have been cited to propose that contributions from d orbitals in the shell below the valence shell are responsible. Another proposal is that polarisation of the electron core of the barium atom creates an approximately tetrahedral distribution of charge that interacts with the Ba-F bonds.

Barium fluoride is transparent from the ultraviolet to the infrared, from 150–200 nm to 11–11.5 µm, and can be used as a material to make optical components such as lenses. It is used in windows for infrared spectroscopy, in particular in the field of fuel oil analysis. Its transmittance at 200 nm is relatively low (0.60), but at 500 nm it goes up to 0.96–0.97 and stays at that level until 9 µm, then it starts falling off (0.85 for 10 µm and 0.42 for 12 µm). The refractive index is about 1.46 from 700 nm to 5 µm.

Barium fluoride is also a common, very fast (one of the fastest) scintillators for the detection of X-rays, gamma rays or other high energy particles. One of its applications is the detection of 511 keV gamma photons in positron emission tomography. It responds also to alpha and beta particles, but, unlike most scintillators, it does not glow in ultraviolet light. It can be also used for detection of high-energy (10–150 MeV) neutrons, and use pulse shape discrimination techniques to separate them from simultaneously occurring gamma photons.


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