Barium fluoride is an inorganic compound, chemical formula is BaFtwo, a colorless crystalline powder, soluble in hydrochloric acid, nitric acid, hydrofluoric acid and ammonium chloride solution, insoluble in water, mainly used as preservative and metal heat treatment agent.
Solubility: soluble in hydrochloric acid, nitric acid, hydrofluoric acid and ammonium chloride solution, insoluble in water[1]
Material structure
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Figure 1
Barium fluoride is alkaline earth fluoride crystal, colorless and transparent, belonging to cubic crystal system and face centered cubic structure (see Figure 1a).It is a coordination type crystal. Each barium atom is surrounded by eight fluorine ions to form an anionic cubic structure unit (see Figure 1b), while F is surrounded by four Ba atoms to form a tetrahedral structure unit. Ba is closely packed in the cubic lattice (see Figure 1).
The solid barium fluoride is fluorite crystal structure, cubic crystal system.Under high pressure, it changes to lead chloride type structure.
In gaseous state, use BaFtwoThe molecular form exists, the F-Ba-F bond angle is about 108 °, andValence shell electron pair repulsion theoryThe predictions of are contradictory.Ab initio calculations show that this is the result of the participation of the d-orbitals of barium atoms.There are also theories that this is caused by the polarization of electrons in the inner layer of barium, which generates a tetrahedral charge distribution around the barium atom and interacts with the Ba-F bond.
Calculate chemical data
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Reference value for drainage parameter calculation (XlogP): None
Number of hydrogen bond donors: 0
Number of hydrogen bond receptors: 2
Number of rotatable chemical bonds: 0
Number of tautomers: 0
Topological molecular polar surface area: 0
Number of heavy atoms: 3
Surface charge: 0
Complexity: 0
Number of isotope atoms: 0
Determine the number of atomic structure centers: 0
Number of uncertain atomic structure centers: 0
Determine the number of chemical bond structure centers: 0
Number of uncertain chemical bond structure centers: 0
Number of covalent bond units: 3[1]
purpose
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It is mainly used as antiseptic and metal heat treatment agent.
Storage method
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It shall be stored in a ventilated, dry and clean warehouse, sealed and protected from moisture.Do not store and transport together with acids and food.Rain and sunshine shall be prevented during transportation.Handle with care during loading and unloading to prevent package damage.
security information
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Safety terminology
S28：After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).
After skin contact, immediately use a large amount of(designated by the manufacturer).
