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{{Short description|Chemical compound}} |
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{{chembox |
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{{Chembox |
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| verifiedrevid = 396295678 |
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| verifiedrevid = 413666960 |
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| Name = Barium fluoride |
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| Name = Barium fluoride |
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| ImageFile1 =Barium fluoride crystal sample.jpg |
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| ImageFile =Fluorite-unit-cell-3D-ionic.png |
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| ImageFile2 =Fluorite-unit-cell-3D-ionic.png |
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| ImageName = Barium fluoride |
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| Section1 = {{Chembox Identifiers |
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|Section1={{Chembox Identifiers |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 56421 |
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| ChemSpiderID = 56421 |
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| SMILES = FF |
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| InChI = 1/Ba.2FH/h;2*1H/q+2;;/p-2 |
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| SMILES = .. |
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| SMILES2 = .. |
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| InChIKey = OYLGJCQECKOTOL-NUQVWONBAV |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI = 1S/Ba.2FH/h;2*1H/q+2;;/p-2 |
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| StdInChI = 1S/Ba.2FH/h;2*1H/q+2;;/p-2 |
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| CASNo = 7787-32-8 |
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| CASNo = 7787-32-8 |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| UNII = H96A02I53Y |
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| RTECS = CQ9100000 |
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| RTECS = CQ9100000 |
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| PubChem = 62670 |
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}} |
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| Section2 = {{Chembox Properties |
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|Section2={{Chembox Properties |
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| Formula = BaF<sub>2</sub> |
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| Formula = {{chem2|BaF2}} |
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| MolarMass = 175.34 g/mol |
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| MolarMass = 175.324 g/mol<ref name=crc>Haynes, p. 4.49</ref> |
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| Appearance = white cubic crystals |
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| Appearance = white cubic crystals<ref name=crc/> |
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| Density = 4.893 g/cm<sup>3</sup> |
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| Density = 4.893 g/cm<sup>3</sup><ref name=crc/> |
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| Solubility = 0.16 g/100 mL (20 °C) |
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| Solubility = 1.58 g/L (10 °C)<br />1.61 g/L (25 °C)<ref>Haynes, p. 5.167</ref> |
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| SolubleOther = soluble in ], ] |
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| SolubleOther = soluble in ], ] |
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| 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> |
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| MeltingPt = 1368 °C |
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| BoilingPt = 2260 °C |
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| MeltingPtC = 1368 |
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| MeltingPt_ref = <ref name=crc/> |
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| BoilingPtC = 2260 |
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| BoilingPt_ref = <ref name=crc/> |
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| RefractIndex = {{ubl|1.557 (200 nm)|1.4744 (589 nm)|1.4014 (10 μm)}}<ref>Haynes, p. 10.248</ref> |
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| ThermalConductivity = 10.9 W/(m·K)<ref>Haynes, p. 12.222</ref> |
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| MagSus = −51·10<sup>−6</sup> cm<sup>3</sup>/mol<ref>Haynes, p. 4.126</ref> |
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| Section3 = {{Chembox Structure |
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|Section3={{Chembox Structure |
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| 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> |
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| CrystalStruct = ] (cubic), ] |
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| CrystalStruct = ] (cubic), ] |
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| SpaceGroup = Fm{{overline|3}}m, No. 225 |
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| SpaceGroup = Fm{{overline|3}}m, No. 225 |
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| LattConst_a = 0.62 nm |
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| UnitCellFormulas = 4 |
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| Section4 = {{Chembox Thermochemistry |
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| Thermochemistry_ref =<ref>Haynes, p. 5.5</ref> |
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| HeatCapacity = 71.2 J/(mol·K) |
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| Entropy = 96.4 J/(mol·K) |
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| DeltaHform = −1207.1 kJ/mol |
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| DeltaGfree = −1156.8 kJ/mol |
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| DeltaHcombust = |
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| DeltaHfus = |
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| DeltaHvap = |
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| DeltaHsublim = |
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| HHV = |
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| LHV = |
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| Section7 = {{Chembox Hazards |
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|Section7={{Chembox Hazards |
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| ExternalSDS = |
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| ExternalMSDS = |
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| MainHazards = Toxic |
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| EUClass = Harmful ('''Xn''') |
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| GHSPictograms = {{GHS07}} |
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| EUIndex = 056-002-00-7 |
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| RPhrases = {{R20/22}} |
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| SPhrases = {{S2}}, {{S28}} |
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| FlashPt = Non-flammable |
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| FlashPt = Non-flammable |
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| NFPA-H = 3 |
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| NFPA-H = |
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| NFPA-F = 0 |
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| NFPA-F = |
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| NFPA-R = 0 |
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| NFPA-R = |
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| LD50 = 250 mg/kg, oral (rat) |
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| LD50 = 250 mg/kg, oral (rat) |
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}} |
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| Section8 = {{Chembox Related |
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|Section8={{Chembox Related |
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| OtherAnions = ]<br />]<br />] |
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| OtherAnions = {{ubl|]|]|]}} |
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| OtherCations = ]<br/>]<br/>]<br/>]}} |
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| OtherCations = {{ubl|]|]|]|]|]}} |
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'''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> |
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'''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. |
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Above ca. 500 °C, {{chem2|BaF2}} is corroded by moisture, but in dry environments 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 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. |
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==Structure== |
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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> |
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==Optical properties== |
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==Applications== |
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Barium fluoride is transparent from the ] to the ], from 150–200 ] 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 ], in particular in the field of fuel oil analysis. Its ] 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 <ref>{{cite web | url=http://www.crystran.co.uk/barium-fluoride-baf2.htm |title=Crystran Ltd. Optical Component Materials |accessdate=29 December 2009}}</ref> |
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Barium fluoride is transparent from the ] to the ], from 150 to 200 ] to 11–11.5 μm. It is used in windows for ], in particular in the field of fuel oil analysis. Its ] 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.<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> |
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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. |
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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. |
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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. |
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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 ]. |
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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 ]. |
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==Gas phase structure== |
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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> |
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==References== |
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==References== |
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{{reflist}} |
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{{Reflist}} |
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==Cited sources== |
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*{{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}} |
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==External links== |
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==External links== |
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* {{Webarchive|url=https://web.archive.org/web/20060517175535/http://physchem.ox.ac.uk/MSDS/BA/barium_fluoride.html |date=2006-05-17 }} |
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{{Barium compounds}} |
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{{Barium compounds}} |
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{{fluorine compounds}} |
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{{Authority control}} |
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{{DEFAULTSORT:Barium Fluoride}} |
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{{DEFAULTSORT:Barium Fluoride}} |
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