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{{Short description|Chemical compound}}
{{chembox
{{Chembox
| verifiedrevid = 396295678
| Verifiedfields = changed
| Watchedfields = changed
| verifiedrevid = 413666960
| Name = Barium fluoride | Name = Barium fluoride
| ImageFile1 =Barium fluoride crystal sample.jpg
| ImageFile =Fluorite-unit-cell-3D-ionic.png | ImageFile2 =Fluorite-unit-cell-3D-ionic.png
| ImageName = Barium fluoride
| Section1 = {{Chembox Identifiers |Section1={{Chembox Identifiers
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 56421 | ChemSpiderID = 56421
| SMILES = FF
| InChI = 1/Ba.2FH/h;2*1H/q+2;;/p-2
| SMILES = .. | SMILES2 = ..
| InChIKey = OYLGJCQECKOTOL-NUQVWONBAV
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/Ba.2FH/h;2*1H/q+2;;/p-2 | StdInChI = 1S/Ba.2FH/h;2*1H/q+2;;/p-2
Line 16: Line 18:
| CASNo = 7787-32-8 | CASNo = 7787-32-8
| CASNo_Ref = {{cascite|correct|CAS}} | CASNo_Ref = {{cascite|correct|CAS}}
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = H96A02I53Y
| RTECS = CQ9100000 | RTECS = CQ9100000
| PubChem = 62670
}} }}
| Section2 = {{Chembox Properties |Section2={{Chembox Properties
| Formula = BaF<sub>2</sub> | Formula = {{chem2|BaF2}}
| MolarMass = 175.34 g/mol | MolarMass = 175.324 g/mol<ref name=crc>Haynes, p. 4.49</ref>
| Appearance = white cubic crystals | Appearance = white cubic crystals<ref name=crc/>
| Density = 4.893 g/cm<sup>3</sup> | Density = 4.893 g/cm<sup>3</sup><ref name=crc/>
| Solubility = 0.16 g/100 mL (20 °C) | Solubility = 1.58 g/L (10 °C)<br />1.61 g/L (25 °C)<ref>Haynes, p. 5.167</ref>
| SolubleOther = soluble in ], ] | SolubleOther = soluble in ], ]
| SolubilityProduct = 1.84·10<sup>−7</sup><ref name="crc99">{{cite book |author1=John Rumble |title=CRC Handbook of Chemistry and Physics |date=June 18, 2018 |publisher=CRC Press |isbn=978-1138561632 |pages=4–47|edition=99th |language=English}}</ref>
| MeltingPt = 1368 °C
| BoilingPt = 2260 °C | MeltingPtC = 1368
| MeltingPt_ref = <ref name=crc/>
| BoilingPtC = 2260
| BoilingPt_ref = <ref name=crc/>
| RefractIndex = {{ubl|1.557 (200 nm)|1.4744 (589 nm)|1.4014 (10 μm)}}<ref>Haynes, p. 10.248</ref>
| ThermalConductivity = 10.9 W/(m·K)<ref>Haynes, p. 12.222</ref>
| MagSus = −51·10<sup>−6</sup> cm<sup>3</sup>/mol<ref>Haynes, p. 4.126</ref>
}} }}
| Section3 = {{Chembox Structure |Section3={{Chembox Structure
| Structure_ref=<ref>{{cite journal|doi=10.1063/1.1663334|title=Epitaxial PbSe and Pb<sub>1−x</sub>S<sub>x</sub>Se: Growth and electrical properties|journal=Journal of Applied Physics|volume=45|issue=2|pages=892–897|year=1974|last1=Hohnke|first1=D. K.|last2=Kaiser|first2=S. W.|bibcode=1974JAP....45..892H}}</ref>
| CrystalStruct = ] (cubic), ] | CrystalStruct = ] (cubic), ]
| SpaceGroup = Fm{{overline|3}}m, No. 225 | SpaceGroup = Fm{{overline|3}}m, No. 225
| LattConst_a = 0.62 nm
| UnitCellFormulas = 4
}}
| Section4 = {{Chembox Thermochemistry
| Thermochemistry_ref =<ref>Haynes, p. 5.5</ref>
| HeatCapacity = 71.2 J/(mol·K)
| Entropy = 96.4 J/(mol·K)
| DeltaHform = −1207.1 kJ/mol
| DeltaGfree = −1156.8 kJ/mol
| DeltaHcombust =
| DeltaHfus =
| DeltaHvap =
| DeltaHsublim =
| HHV =
| LHV =
}} }}
| Section7 = {{Chembox Hazards |Section7={{Chembox Hazards
| ExternalSDS =
| ExternalMSDS =
| MainHazards = Toxic
| EUClass = Harmful ('''Xn''')
| GHSPictograms = {{GHS07}}
| EUIndex = 056-002-00-7
| RPhrases = {{R20/22}}
| SPhrases = {{S2}}, {{S28}}
| FlashPt = Non-flammable | FlashPt = Non-flammable
| NFPA-H = 3 | NFPA-H =
| NFPA-F = 0 | NFPA-F =
| NFPA-R = 0 | NFPA-R =
| LD50 = 250 mg/kg, oral (rat) | LD50 = 250 mg/kg, oral (rat)
}} }}
| Section8 = {{Chembox Related |Section8={{Chembox Related
| OtherAnions = ]<br />]<br />] | OtherAnions = {{ubl|]|]|]}}
| OtherCations = ]<br/>]<br/>]<br/>]}} | OtherCations = {{ubl|]|]|]|]|]}}
}} }}
}}
'''Barium fluoride''' (BaF<sub>2</sub>) is a chemical compound of ] and ]. It is a solid which can be a transparent crystal. It occurs in nature as the mineral ].<ref>{{cite journal|url=http://www.minsocam.org/ammin/AM59/AM59_885.pdf|title = Frankdicksonite, BaF2, a New Mineral from Nevada | author = Radtke A.S., Brown G.E.|journal = American Mineralogist|year = 1974|volume = 59|pages = 885–888}}</ref>
'''Barium fluoride''' is an ] with the formula {{chem2|BaF2|auto=1}}. It is a colorless solid that occurs in nature as the rare mineral ].<ref>{{cite journal|url=http://www.minsocam.org/ammin/AM59/AM59_885.pdf|title = Frankdicksonite, BaF<sub>2</sub>, a New Mineral from Nevada | author = Radtke A.S., Brown G.E.|journal = American Mineralogist|year = 1974|volume = 59|pages = 885–888}}</ref> Under standard conditions it adopts the ] structure and at high pressure the ] structure.<ref name = "Wells">{{cite book| author = Wells, A.F. | year = 1984| title = Structural inorganic chemistry −5th Edition |location = Oxford | isbn = 0-19-855370-6| publisher = Clarendon Press}}</ref> Like ], it is resilient to and insoluble in water.


Above ca. 500&nbsp;°C, {{chem2|BaF2}} is corroded by moisture, but in dry environments it can be used up to 800&nbsp;°C. Prolonged exposure to moisture degrades transmission in the ] range. It is less resistant to water than ], but it is the most resistant of all the optical fluorides to high-energy radiation, though its far ultraviolet transmittance is lower than that of the other fluorides. It is quite hard, very sensitive to ] and fractures quite easily.
==Structure==
The solid adopts the ] structure and at high pressure the ] structure.<ref name = "Wells">{{cite book| author = A.F Wells | year = 1984| title = Structural inorganic chemistry -5th Edition |location = Oxford | isbn = 0-19-855370-6| publisher = Clarendon Press}}</ref> In the vapor phase the BaF<sub>2</sub> molecule is non-linear with an F-Ba-F angle of approximately 108°.<ref name = "Greenwood">{{Greenwood&Earnshaw}}</ref> This is an exception to ] 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.<ref>{{cite journal | doi = 10.1063/1.459748 | title = Ab initio model potential study of the equilibrium geometry of alkaline earth dihalides: MX2 (M=Mg, Ca, Sr, Ba; X=F, Cl, Br, I) | year = 1991 | author = Seijo, Luis | journal = The Journal of Chemical Physics | volume = 94 | pages = 3762 | last2 = Barandiarán | first2 = Zoila | last3 = Huzinaga | first3 = Sigeru}}</ref> 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.<ref>{{cite journal| doi =10.1021/ic00113a023| title =Core Distortions and Geometries of the Difluorides and Dihydrides of Ca, Sr, and Ba| year =1995| author =Bytheway, Ian| journal =Inorganic Chemistry| volume =34| pages =2407| last2 =Gillespie| first2 =Ronald J.| last3 =Tang| first3 =Ting-Hua| last4 =Bader| first4 =Richard F. W.}}</ref>


==Optical properties==
==Applications==
Barium fluoride is transparent from the ] to the ], from 150–200 ] to 11–11.5&nbsp;µm, and can be used as a material to make optical components such as lenses. It is used in windows for ], in particular in the field of fuel oil analysis. Its ] at 200&nbsp;nm is relatively low (0.60), but at 500&nbsp;nm it goes up to 0.96–0.97 and stays at that level until 9&nbsp;µm, then it starts falling off (0.85 for 10&nbsp;µm and 0.42 for 12&nbsp;µm). The refractive index is about 1.46 from 700&nbsp;nm to 5&nbsp;µm <ref>{{cite web | url=http://www.crystran.co.uk/barium-fluoride-baf2.htm |title=Crystran Ltd. Optical Component Materials |accessdate=29 December 2009}}</ref> Barium fluoride is transparent from the ] to the ], from 150 to 200 ] to 11–11.5&nbsp;μm. It is used in windows for ], in particular in the field of fuel oil analysis. Its ] at 200&nbsp;nm is relatively low (0.60), but at 500&nbsp;nm it goes up to 0.96–0.97 and stays at that level until 9&nbsp;μm, then it starts falling off (0.85 for 10&nbsp;μm and 0.42 for 12&nbsp;μm). The refractive index is about 1.46 from 700&nbsp;nm to 5&nbsp;μm.<ref>{{cite web | url=http://www.crystran.co.uk/barium-fluoride-baf2.htm | title=Crystran Ltd. Optical Component Materials | access-date=29 December 2009 | archive-date=11 June 2010 | archive-url=https://web.archive.org/web/20100611112530/http://www.crystran.co.uk/barium-fluoride-baf2.htm | url-status=dead }}</ref>


Barium fluoride is also a common, very fast (one of the fastest) ] for the detection of ]s, ]s or other high energy particles. One of its applications is the detection of 511 ] gamma photons in ]; other materials used in this application include ]. It responds also to alpha and beta particles, but, unlike most scintillators, it does not glow in ultraviolet light.<ref>{{cite journal| doi = 10.1016/0167-5087(83)91254-1| title = Barium fluoride – Inorganic scintillator for subnanosecond timing| year = 1983| author = Laval, M| journal = Nuclear Instruments and Methods in Physics Research| volume = 206| pages = 169}}</ref> It can be also used for detection of high-energy (10–150 MeV) ]s, and use pulse shape discrimination techniques to separate them from simultaneously occurring gamma photons. Barium fluoride is also a common, very fast (one of the fastest) ]s for the detection of ]s, ]s or other high energy particles. One of its applications is the detection of 511 ] gamma photons in ]. It responds also to alpha and beta particles, but, unlike most scintillators, it does not emit ultraviolet light.<ref>{{cite journal| doi = 10.1016/0167-5087(83)91254-1| title = Barium fluoride – Inorganic scintillator for subnanosecond timing| year = 1983| author = Laval, M| journal = Nuclear Instruments and Methods in Physics Research| volume = 206| issue = 1–2| pages = 169–176| last2 = Moszyński| first2 = M.| last3 = Allemand| first3 = R.| last4 = Cormoreche| first4 = E.| last5 = Guinet| first5 = P.| last6 = Odru| first6 = R.| last7 = Vacher| first7 = J.| bibcode = 1983NIMPR.206..169L}}</ref> It can be also used for detection of high-energy (10–150 MeV) ]s, using pulse shape discrimination techniques to separate them from simultaneously occurring gamma photons.

When heated to 500 °C, it gets corroded by water, but in dry environment it can be used up to 800 °C. Prolonged exposure to moisture degrades transmission in the ] range. It is less resistant to water than ], but is the most resistant of all the optical fluorides to high-energy radiation, though its far ultraviolet transmittance is lower than theirs. It is quite hard, very sensitive to ] and fractures quite easily.


Barium fluoride is used as a ] agent and in ] and glazing frits production. Its other use is in the production of ] agents (an additive to some ], a component of coatings for ]s and in welding powders). It is also used in ], as a molten bath for refining ]. Barium fluoride is used as a ] agent and in ] and glazing frits production. Its other use is in the production of ] agents (an additive to some ], a component of coatings for ]s and in welding powders). It is also used in ], as a molten bath for refining ].

==Gas phase structure==
In the vapor phase the {{chem2|BaF2}} molecule is non-linear with an F-Ba-F angle of approximately 108°.<ref name = "Greenwood">{{Greenwood&Earnshaw}}</ref> Its nonlinearity violates ]. Ab initio calculations indicate that contributions from d orbitals in the shell below the valence shell are responsible.<ref>{{cite journal | doi = 10.1063/1.459748 | title = Ab initio model potential study of the equilibrium geometry of alkaline earth dihalides: MX2 (M=Mg, Ca, Sr, Ba; X=F, Cl, Br, I) | year = 1991 | author = Seijo, Luis | journal = The Journal of Chemical Physics | volume = 94 | pages = 3762 | last2 = Barandiarán | first2 = Zoila | last3 = Huzinaga | first3 = Sigeru | issue = 5| url = https://repositorio.uam.es/bitstream/10486/7315/1/41581_jchemphysseijo_91_jcp_94_3762.pdf |bibcode = 1991JChPh..94.3762S|hdl = 10486/7315| hdl-access = free }}</ref> 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.<ref>{{cite journal| doi =10.1021/ic00113a023| title =Core Distortions and Geometries of the Difluorides and Dihydrides of Ca, Sr, and Ba| year =1995| author =Bytheway, Ian| journal =Inorganic Chemistry| volume =34| pages =2407| last2 =Gillespie| first2 =Ronald J.| last3 =Tang| first3 =Ting-Hua| last4 =Bader| first4 =Richard F. W.| issue =9}}</ref>


==References== ==References==
{{reflist}} {{Reflist}}

==Cited sources==
*{{cite book | editor= Haynes, William M. | date = 2016| title = CRC Handbook of Chemistry and Physics | edition = 97th | publisher = ] | isbn = 9781498754293|page=4.49| title-link = CRC Handbook of Chemistry and Physics}}


==External links== ==External links==
* * {{Webarchive|url=https://web.archive.org/web/20060517175535/http://physchem.ox.ac.uk/MSDS/BA/barium_fluoride.html |date=2006-05-17 }}


{{Barium compounds}} {{Barium compounds}}
{{fluorine compounds}}
{{Authority control}}


{{DEFAULTSORT:Barium Fluoride}} {{DEFAULTSORT:Barium Fluoride}}
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