Chemistry:Iodate fluoride

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The iodate fluorides are chemical compounds which contain both iodate and fluoride anions (IO3− and F−). In these compounds fluorine is not bound to iodine as it is in fluoroiodates.[1] Iodate fluorides are under investigation for the non-linear optical properties. The lack of symmetry is enhanced by the lone pair of electrons on the iodate group.[1]

List

name formula weight system space group unit cell volume density properties ref
K3V2O3F4(IO3)3 867.88 orthorhombic Cmc21 a=11.6073 b=8.5216 c=15.098 Z=4 1493.4 3.86 SHG 1.3 ×KDP; birefringence 0.158 @ 2050 nm [2]
CoIO3F monoclinic P21/n a=4.9954 b=5.2110 c =12.5179 β=95.347° [3]
NiIO3F monoclinic P21/n [3]
zinc iodate fluoride ZnIO3F 259.27 monoclinic P21/n a=5.030 b=5.227 c=12.471 β=96.00 Z=4 326.13 5.281 band gap 4.2 eV [4]
LiGaF2(IO3)2 464.46 monoclinic P21/n a=9.9994 b=5.1160 c=12.6619 β=106.444 Z=4 621.25 4.966 stable to 400 °C band gap 4.33 eV [5]
NaGa(IO3)3F [6]
NaGa(IO3)2F2 480.51 monoclinic P21/c a=10.8243 b=4.8603 c=13.593 β=104.750° Z=4 691.6 6.615 [6]
RbGaF3(IO3) orthorhombic Pnma a=7.8109 b=7.2758 c=10.1367 [7]
yttrium diiodate fluoride Y(IO3)2F 457.71 hexagonal P63 a=6.8455 c=21.807 Z=6 885.0 5.153 white [8]
ZrF2(IO3)2 monoclinic C2/c a=16.352 b=5.2819 c=7.459 β=104.31° [7]
Cd3(IO3)(IO4)F2·0.1CdO R3m a =15.286 c=9.574 SHG 3.0xKDP band gap 4.0 eV [9]
tin difluoride diiodate Sn(IO3)2F2 506.49 monoclinic P21 a=5.436 b=9.91 c=6.28 β=105.44 Z=2 326.3 5.155 band gap 4.08 SHG 3x; white [10]
CsVO2F(IO3) 409.75 orthorhombic Pna21 a=7.8974 b=10.2644 c=7.3854 Z=4 598.68 4.546 alkaline metals [11]
Barium iodate fluoride Ba(IO3)F 331.24 monoclinic P21/c a=10.5729 b=6.3354 c=6.0450 β=90.497° 404.90 5.434 band gap 4.32 eV; high birefringence [12]
α-Ba[VFO2(IO3)2] 589.08 Orthorhombic Pbcn a=5.1494 b=12.644 c=12.400 Z=4 807.4 4.846 colourless
β-Ba[VFO2(IO3)2] 589.08 Orthorhombic P212121 a=7.1902 b=8.1964 c=13.0420 Z=4 768.6 5.091 colourless [13]
α-Ba2[VO2F2(IO3)2]IO3 920.32 Orthorhombic Pna21 a =13.578 b=11.425 c=7.500 Z=4 1163.5 5.254 colourless [13]
β-Ba2[VO2F2(IO3)2]IO3 920.32 monoclinic P21 a=7.3895 b=7.4994 c=10.9095 β=105.461 Z=2 582.69 5.245 colourless [13]
α-Ba2[GaF4(IO3)2](IO3) 945.10 orthorhombic Pna21 a=13.6984 b=11.3696 c=7.4245 Z=4 1156.76 5.429 colourless SHG 6×KDP band gap 4.61eV [14]
β-Ba2[GaF4(IO3)2](IO3) 945.10 monoclinic P21 a=7.4631 b=7.4511 c=10.9597 β=106.138 Z=2 585.24 5.361 colourless SHG 6×KDP band gap 4.35 [14]
LaZr(IO3)5F2 monoclinic P21/n a=7.5227 b=18.5262 c=10.3238 β=93.155° band gap 4.13 eV [15]
Ce(IO3)3F monoclinic P21/c a =6.9430 b =8.2205 c=29.9956 β 89.976° Z=8 1712.00 5.306 [16]
Ce(IO3)2F2·H2O 545.94 orthorhombic Ima2 a=7.702 b=12.277 c=7.947 Z=4 751.4 4.826 light yellow [17]
Li2Ce(IO3)4F2 891.60 monoclinic C2/c a =12.5663 b =5.5853 c=17.1623 β=95.953° Z=4 1198.07 4.943 yellow [18]
CaCe(IO3)3(IO3F)F orthorhombic Pna21 a=11.068 b=18.151 c=6.0301 [19]
HfF2(IO3)2 band gap 4.11 eV [20]
CsHfF4(IO3) 562.30 orthorhombic Ima2 a=7.4321 b=11.156 c=8.030 Z=4 665.8 5.610 SHG 3.5 × KH2PO4 band gap 4.47 eV transparent from 270 to 9900 nm birefringence 0.161 [21]
K5(W3O9F4)(IO3) 1141.95 monoclinic Pm a=9.7129 b=3.7122 c=10.9575 β=102.007 Z=1 386.44 4.907 SHG 11×KDP [22]
PbF(IO3) orthorhombic C2ma a = 6.0438 b = 5.7840 c = 11.0731 Z=2 [23]
PbF(IO3) monoclinic P11n a=4.1581 b=4.1548 c=11.0416 β=92.47° [23]
Bi(IO3)F2 421.88 monoclinic C2 a=12.827 b=5.3089 c=6.0790 β=101.384 Z=4 405.89 6.904 SHG 11.5×KDP [24]
Bi3OF3(IO3)4 1399.54 hexagonal P63mc a=10.880 c=6.993 716.8 6.484 colourless SHG [25]
NH4Bi2(IO3)2F5 880.80 monoclinic P21 a=5.718 b=5.892 c=15.18 β=100.38 Z=2 502.9 5.817 SHG 9.2×KDP [26]
KBi2(IO3)2F5 901.86 monoclinic P21 a=5.687 b=5.864 c=14.82 β=100.095 Z=2 486.5 6.157 colourless SHG [27]
RbBi2(IO3)2F5 948.23 monoclinic P21 a=5.7357 b=5.9095 c=15.177 β=100.263 Z=2 506.2 6.221 colourless SHG [27]
CsBi2(IO3)2F5 995.67 monoclinic P21 a=5.750 b=5.924 c=15.640 β=100.509 Z=2 523.8 6.313 colourless SHG [27]

References

  1. ↑ 1.0 1.1 Gao, Dong; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei (January 2023). "Recent advances in F-containing iodate nonlinear optical materials" (in en). Chinese Journal of Structural Chemistry 42 (1): 100014. doi:10.1016/j.cjsc.2023.100014. https://linkinghub.elsevier.com/retrieve/pii/S0254586123000041. 
  2. ↑ Chen, Jin; Hu, Chun-Li; Lin, Yi-Lin; Chen, Yan; Chen, Qian-Qian; Mao, Jiang-Gao (2022). "K 3 V 2 O 3 F 4 (IO 3 ) 3 : a high-performance SHG crystal containing both five and six-coordinated V 5+ cations" (in en). Chemical Science 13 (2): 454–460. doi:10.1039/D1SC06026K. ISSN 2041-6520. PMID 35126977. PMC 8729798. http://xlink.rsc.org/?DOI=D1SC06026K. 
  3. ↑ 3.0 3.1 Liu, Hang; Wang, Yanhong; Zhou, Yadong; Li, Shuang; Dou, Yaling; Wang, Tao; Lu, Hongcheng (2022-11-07). "MIO 3 F (M = Co and Ni): Magnetic Iodate Fluorides with Zigzag Chains" (in en). Inorganic Chemistry 61 (44): 17838–17847. doi:10.1021/acs.inorgchem.2c03167. ISSN 0020-1669. PMID 36285503. https://pubs.acs.org/doi/10.1021/acs.inorgchem.2c03167. 
  4. ↑ Gai, Minqiang; Wang, Ying; Tong, Tinghao; Yang, Zhihua; Pan, Shilie (2020-04-06). "ZnIO 3 F: Zinc Iodate Fluoride with Large Birefringence and Wide Band Gap" (in en). Inorganic Chemistry 59 (7): 4172–4175. doi:10.1021/acs.inorgchem.0c00284. ISSN 0020-1669. PMID 32191441. https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.0c00284. 
  5. ↑ Chen, Jin; Hu, Chun-Li; Mao, Jiang-Gao (2021-02-01). "LiGaF2(IO3)2: A mixed-metal gallium iodate-fluoride with large birefringence and wide band gap" (in en). Science China Materials 64 (2): 400–407. doi:10.1007/s40843-020-1395-x. ISSN 2199-4501. 
  6. ↑ 6.0 6.1 Yang, Shuoxing; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei (2024-01-01). "From NaGa(IO 3 ) 3 F to NaGa(IO 3 ) 2 F 2 and NaGa(IO 3 ) 4 : The Effects of Chemical Substitution between F – Anions and IO 3 – Groups on the Structures and Properties of Gallium Iodates" (in en). Inorganic Chemistry. doi:10.1021/acs.inorgchem.3c03928. ISSN 0020-1669. https://pubs.acs.org/doi/10.1021/acs.inorgchem.3c03928. 
  7. ↑ 7.0 7.1 Chen, Jin; Du, Ke-Zhao (2022-11-07). "ZrF 2 (IO 3 ) 2 and RbGaF 3 (IO 3 ): Two Promising Birefringent Crystals Featuring 1D Metal-Fluoride Cationic Chains and Wide Bandgaps" (in en). Inorganic Chemistry 61 (44): 17893–17901. doi:10.1021/acs.inorgchem.2c03267. ISSN 0020-1669. PMID 36288086. https://pubs.acs.org/doi/10.1021/acs.inorgchem.2c03267. 
  8. ↑ Peng, Guang; Yang, Yi; Yan, Tao; Zhao, Dan; Li, Bingxuan; Zhang, Ge; Lin, Zheshuai; Ye, Ning (2020). "Helix-constructed polar rare-earth iodate fluoride as a laser nonlinear optical multifunctional material" (in en). Chemical Science 11 (28): 7396–7400. doi:10.1039/D0SC02789H. ISSN 2041-6520. PMID 33133489. 
  9. ↑ Cao, Liling; Zhang, Shengzi; Zhao, Dan; Li, Bingxuan; Yan, Tao; Yang, Guangsai; Lin, Zheshuai; Luo, Min et al. (2021-04-06). "Cd3(IO3)(IO4)F2·0.1CdO: A Nonlinear-Optical Crystal with the Introduction of Fluoride into Iodate Containing Both [IO3− and [IO4]3– Groups"]. Inorganic Chemistry 60 (8): 6040–6046. doi:10.1021/acs.inorgchem.1c00506. ISSN 0020-1669. PMID 33822589. https://doi.org/10.1021/acs.inorgchem.1c00506. 
  10. ↑ Luo, Min; Liang, Fei; Hao, Xia; Lin, Donghong; Li, Bingxuan; Lin, Zheshuai; Ye, Ning (2020-03-24). "Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO 3 ) 2 F 2" (in en). Chemistry of Materials 32 (6): 2615–2620. doi:10.1021/acs.chemmater.0c00196. ISSN 0897-4756. 
  11. ↑ Chen, Jin; Hu, Chun‐Li; Zhang, Xiao‐Han; Li, Bing‐Xuan; Yang, Bing‐Ping; Mao, Jiang‐Gao (2020-03-23). "CsVO 2 F(IO 3 ): An Excellent SHG Material Featuring an Unprecedented 3D [VO 2 F(IO 3 )] − Anionic Framework" (in en). Angewandte Chemie International Edition 59 (13): 5381–5384. doi:10.1002/anie.202000587. ISSN 1433-7851. PMID 32027081. 
  12. ↑ Fan, Huixin; Peng, Guang; Lin, Chensheng; Chen, Kaichuang; Yang, Shunda; Ye, Ning (13 May 2020). "Ba(IO3)F: An Alkaline-Earth-Metal Iodate Fluoride Crystal with Large Band Gap and Birefringence". Inorganic Chemistry 59 (11): 7376–7379. doi:10.1021/acs.inorgchem.0c00945. PMID 32401023. 
  13. ↑ 13.0 13.1 13.2 Cite error: Invalid <ref> tag; no text was provided for refs named :1
  14. ↑ 14.0 14.1 Chen, Jin; Hu, Chun-Li; Mao, Fei-Fei; Feng, Jiang-He; Mao, Jiang-Gao (2019-02-11). "A Facile Route to Nonlinear Optical Materials: Three-Site Aliovalent Substitution Involving One Cation and Two Anions" (in en). Angewandte Chemie 131 (7): 2120–2124. doi:10.1002/ange.201813968. PMID 30589189. Bibcode: 2019AngCh.131.2120C. 
  15. ↑ Mao, Feifei; Liu, Jiadi; Hu, Jinyu; Wu, Hua (2020-11-02). "From Ag 2 Zr(IO 3 ) 6 to LaZr(IO 3 ) 5 F 2 : A Case of Constructing Wide‐band‐gap Birefringent Materials through Chemical Cosubstitution" (in en). Chemistry: An Asian Journal 15 (21): 3487–3493. doi:10.1002/asia.202001002. ISSN 1861-4728. PMID 32902181. https://onlinelibrary.wiley.com/doi/10.1002/asia.202001002. 
  16. ↑ Ma, Nan; Huang, Yu; Hu, Chun-Li; Zhang, Ming-Zhi; Li, Bing-Xuan; Mao, Jiang-Gao (2023-09-07). "Ce(IO 3 ) 3 F and Ce(IO 3 ) 2 (NO 3 ): Two Mixed-Anion Cerium Iodates with Good Nonlinear Optical and Birefringent Properties" (in en). Inorganic Chemistry. doi:10.1021/acs.inorgchem.3c02651. ISSN 0020-1669. PMID 37677152. https://pubs.acs.org/doi/10.1021/acs.inorgchem.3c02651. 
  17. ↑ Abudouwufu, Tushagu; Zhang, Min; Cheng, Shichao; Yang, Zhihua; Pan, Shilie (2019-01-24). "Ce(IO 3 ) 2 F 2 ⋅H 2 O: The First Rare-Earth-Metal Iodate Fluoride with Large Second Harmonic Generation Response" (in en). Chemistry: A European Journal 25 (5): 1221–1226. doi:10.1002/chem.201804995. PMID 30408250. 
  18. ↑ Tang, Changcheng; Jiang, Xingxing; Guo, Shu; Guo, Ruixin; Liu, Lijuan; Xia, Mingjun; Huang, Qian; Lin, Zheshuai et al. (2020-04-01). "Synthesis, Crystal Structure, and Optical Properties of the First Alkali Metal Rare-Earth Iodate Fluoride: Li 2 Ce(IO 3 ) 4 F 2" (in en). Crystal Growth & Design 20 (4): 2135–2140. doi:10.1021/acs.cgd.9b01677. ISSN 1528-7483. https://pubs.acs.org/doi/10.1021/acs.cgd.9b01677. 
  19. ↑ Ma, Nan; Hu, Chun-Li; Chen, Jin; Fang, Zhi; Huang, Yu; Li, Bing-Xuan; Mao, Jiang-Gao (2022). "CaCe(IO 3 ) 3 (IO 3 F)F: a promising nonlinear optical material containing both IO 3 − and IO 3 F 2− anions" (in en). Inorganic Chemistry Frontiers 9 (21): 5478–5485. doi:10.1039/D2QI01720B. ISSN 2052-1553. http://xlink.rsc.org/?DOI=D2QI01720B. 
  20. ↑ Huang, Yu; Fang, Zhi; Yang, Bing-Ping; Zhang, Xue-Ying; Mao, Jiang-Gao (January 2023). "A new birefringent material, HfF2(IO3)2, with a large birefringence and improved overall performances achieved by the integration of functional groups" (in en). Scripta Materialia 223: 115082. doi:10.1016/j.scriptamat.2022.115082. https://linkinghub.elsevier.com/retrieve/pii/S1359646222005772. 
  21. ↑ Huang, Yu; Li, Bing-Xuan; Hu, Chun-Li; Yang, Bing-Ping; Mao, Jiang-Gao (2023-02-15). "CsHfF 4 (IO 3 ): A Hafnium Iodate Exhibiting a Strong Second-Harmonic-Generation Effect and a Wide Band Gap Achieved by Mixed-Ligand Acentric Coordination" (in en). Inorganic Chemistry 62 (8): 3343–3348. doi:10.1021/acs.inorgchem.3c00189. ISSN 0020-1669. PMID 36790215. https://pubs.acs.org/doi/10.1021/acs.inorgchem.3c00189. 
  22. ↑ Wu, Chao; Lin, Lin; Jiang, Xingxing; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Halasyamani, P. Shiv; Zhang, Chi (2019-12-24). "K 5 (W 3 O 9 F 4 )(IO 3 ): An Efficient Mid-Infrared Nonlinear Optical Compound with High Laser Damage Threshold" (in en). Chemistry of Materials 31 (24): 10100–10108. doi:10.1021/acs.chemmater.9b03214. ISSN 0897-4756. 
  23. ↑ 23.0 23.1 Belokoneva, Elena; Reutova, Olga; Volkov, Anatoly; Dimitrova, Olga; Stefanovich, Sergey (2022-12-30). "New Modification of Polar Nonlinear Optical Iodate Fluoride PbF(IO3), the Family MX(IO3), M = Bi, Ba, Pb, X = O, F, (OH) Related to Aurivillius Phases and Similar Iodates" (in en). Symmetry 15 (1): 100. doi:10.3390/sym15010100. ISSN 2073-8994. Bibcode: 2022Symm...15..100B. 
  24. ↑ Mao, Fei-Fei; Hu, Chun-Li; Xu, Xiang; Yan, Dong; Yang, Bing-Ping; Mao, Jiang-Gao (2017-02-13). "Bi(IO 3 )F 2 : The First Metal Iodate Fluoride with a Very Strong Second Harmonic Generation Effect" (in en). Angewandte Chemie 129 (8): 2183–2187. doi:10.1002/ange.201611770. Bibcode: 2017AngCh.129.2183M. 
  25. ↑ Zhang, Min; Su, Xin; Mutailipu, Miriding; Yang, Zhihua; Pan, Shilie (2017-02-14). "Bi 3 OF 3 (IO 3 ) 4 : Metal Oxyiodate Fluoride Featuring a Carbon-Nanotube-like Topological Structure with Large Second Harmonic Generation Response" (in en). Chemistry of Materials 29 (3): 945–949. doi:10.1021/acs.chemmater.6b05468. ISSN 0897-4756. 
  26. ↑ Fan, Huixin; Lin, Chensheng; Chen, Kaichuang; Peng, Guang; Li, Bingxuan; Zhang, Ge; Long, Xifa; Ye, Ning (2020-03-23). "(NH 4 )Bi 2 (IO 3 ) 2 F 5 : An Unusual Ammonium‐Containing Metal Iodate Fluoride Showing Strong Second Harmonic Generation Response and Thermochromic Behavior" (in en). Angewandte Chemie 132 (13): 5306–5310. doi:10.1002/ange.201913287. ISSN 0044-8249. https://onlinelibrary.wiley.com/doi/10.1002/ange.201913287. 
  27. ↑ 27.0 27.1 27.2 Liu, Hongming; Wu, Qi; Jiang, Xingxing; Lin, Zheshuai; Meng, Xianggao; Chen, Xingguo; Qin, Jingui (2017-08-01). "ABi 2 (IO 3 ) 2 F 5 (A=K, Rb, and Cs): A Combination of Halide and Oxide Anionic Units To Create a Large Second-Harmonic Generation Response with a Wide Bandgap" (in en). Angewandte Chemie International Edition 56 (32): 9492–9496. doi:10.1002/anie.201705672. PMID 28631860. 
Salts and covalent derivatives of the fluoride ion
HF He
LiF BeF2 BF
BF3
B2F4 		CF4
other compounds 		NF3
FN3
N2F2
N2F4
NF5§ 		F2O
F2O2
other compounds 		F2 Ne
NaF MgF2 AlF
AlF3 		SiF4 P2F4
PF3
PF5 		S2F2
SF2
SF4
SF6 		ClF
ClF3
ClF5 		Ar
KF CaF
CaF2 		ScF3 TiF2
TiF3
TiF4 		VF2
VF3
VF4
VF5 		CrF2
CrF3
CrF4
CrF5
CrF6§ 		MnF2 FeF2
FeF3 		CoF2
CoF3 		NiF2 CuF
CuF2 		ZnF2 GaF2
GaF3 		GeF2
GeF4 		AsF3
AsF5 		Se2F2
SeF4
SeF6 		BrF
BrF3
BrF5 		KrF2
RbF SrF
SrF2 		YF3 ZrF3
ZrF4 		NbF4
NbF5 		MoF2
MoF3
MoF4
MoF5
MoF6 		TcF4
TcF6 		RuF3
RuF5
RuF6 		RhF3
RhF5
RhF6 		PdF2 AgF CdF2 InF
InF2
InF3 		SnF2
SnF4 		SbF3
SbF5 		Te3F2
TeF4
TeF6 		IF
IF3</br>IF5</br>IF7 		XeF2
XeF4
XeF6
CsF BaF2   HfF4 TaF5 WF2
WF3
WF4
WF5
WF6 		Re3F9
ReF4
ReF5
ReF6
ReF7 		OsF4
OsF5
OsF6 		IrF2
IrF3
IrF4
IrF5
IrF6 		PtF2
PtF4
PtF5
PtF6 		AuF
AuF3
Au2F10
AuF5•F2 		Hg2F2
HgF2
HgF4 		TlF PbF2
PbF4 		BiF3
BiF5 		PoF2
PoF4
PoF6 		AtF RnF2
FrF RaF2   Rf Db Sg Bh Hs Mt Ds Rg Cn Nh Fl Mc Lv Ts Og
↓
LaF3 CeF3
CeF4 		PrF3 NdF2,
NdF3 		PmF3 SmF2,
SmF3 		EuF2,
EuF3 		GdF3 TbF3 DyF2,
DyF3 		HoF3 ErF3 TmF2
TmF3 		YbF2
YbF3 		LuF3
AcF3 ThF4 PaF5 UF3
UF4
UF5
UF6 		NpF4
NpF6 		PuF3
PuF6 		AmF2
AmF3 		CmF3 BkF3 CfF3 EsF3 Fm Md No LrF3

§ means the substance has not been made.



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