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 [13]
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 2 Gao, Dong; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei (January 2023). "Recent advances in F-containing iodate nonlinear optical materials". Chinese Journal of Structural Chemistry. 42 (1): 100014. doi:10.1016/j.cjsc.2023.100014. S2CID 255888212.
  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". Chemical Science. 13 (2): 454–460. doi:10.1039/D1SC06026K. ISSN 2041-6520. PMC 8729798. PMID 35126977.
  3. 1 2 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". Inorganic Chemistry. 61 (44): 17838–17847. doi:10.1021/acs.inorgchem.2c03167. ISSN 0020-1669. PMID 36285503. S2CID 253119337.
  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". Inorganic Chemistry. 59 (7): 4172–4175. doi:10.1021/acs.inorgchem.0c00284. ISSN 0020-1669. PMID 32191441. S2CID 213191822.
  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". Science China Materials. 64 (2): 400–407. doi:10.1007/s40843-020-1395-x. ISSN 2199-4501. S2CID 220721811.
  6. 1 2 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". Inorganic Chemistry. doi:10.1021/acs.inorgchem.3c03928. ISSN 0020-1669.
  7. 1 2 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". Inorganic Chemistry. 61 (44): 17893–17901. doi:10.1021/acs.inorgchem.2c03267. ISSN 0020-1669. PMID 36288086. S2CID 253119104.
  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". Chemical Science. 11 (28): 7396–7400. doi:10.1039/D0SC02789H. ISSN 2041-6520. PMC 7553043. PMID 33133489.
  9. ↑ Cao, Liling; Zhang, Shengzi; Zhao, Dan; Li, Bingxuan; Yan, Tao; Yang, Guangsai; Lin, Zheshuai; Luo, Min; Ye, Ning (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. S2CID 233174646.
  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". Chemistry of Materials. 32 (6): 2615–2620. doi:10.1021/acs.chemmater.0c00196. ISSN 0897-4756. S2CID 216332909.
  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". Angewandte Chemie International Edition. 59 (13): 5381–5384. doi:10.1002/anie.202000587. ISSN 1433-7851. PMID 32027081. S2CID 211045824.
  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. S2CID 218618332.
  13. 1 2 3 4 Yu, Hongwei; Nisbet, Matthew L.; Poeppelmeier, Kenneth R. (2018-07-18). "Assisting the Effective Design of Polar Iodates with Early Transition-Metal Oxide Fluoride Anions". Journal of the American Chemical Society. 140 (28): 8868–8876. doi:10.1021/jacs.8b04762. ISSN 0002-7863. PMID 29893564. S2CID 48353180.
  14. 1 2 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". Angewandte Chemie. 131 (7): 2120–2124. Bibcode:2019AngCh.131.2120C. doi:10.1002/ange.201813968. PMID 30589189.
  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". Chemistry: An Asian Journal. 15 (21): 3487–3493. doi:10.1002/asia.202001002. ISSN 1861-4728. PMID 32902181. S2CID 221570724.
  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". Inorganic Chemistry. doi:10.1021/acs.inorgchem.3c02651. ISSN 0020-1669. PMID 37677152. S2CID 261607422.
  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". Chemistry: A European Journal. 25 (5): 1221–1226. doi:10.1002/chem.201804995. PMID 30408250. S2CID 53240238.
  18. ↑ Tang, Changcheng; Jiang, Xingxing; Guo, Shu; Guo, Ruixin; Liu, Lijuan; Xia, Mingjun; Huang, Qian; Lin, Zheshuai; Wang, Xiaoyang (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". Crystal Growth & Design. 20 (4): 2135–2140. doi:10.1021/acs.cgd.9b01677. ISSN 1528-7483. S2CID 216352290.
  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". Inorganic Chemistry Frontiers. 9 (21): 5478–5485. doi:10.1039/D2QI01720B. ISSN 2052-1553. S2CID 252232612.
  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". Scripta Materialia. 223: 115082. doi:10.1016/j.scriptamat.2022.115082. S2CID 252823348.
  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". Inorganic Chemistry. 62 (8): 3343–3348. doi:10.1021/acs.inorgchem.3c00189. ISSN 0020-1669. PMID 36790215. S2CID 256870851.
  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". Chemistry of Materials. 31 (24): 10100–10108. doi:10.1021/acs.chemmater.9b03214. hdl:1885/215315. ISSN 0897-4756. S2CID 213915289.
  23. 1 2 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". Symmetry. 15 (1): 100. Bibcode:2022Symm...15..100B. doi:10.3390/sym15010100. ISSN 2073-8994.
  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". Angewandte Chemie. 129 (8): 2183–2187. Bibcode:2017AngCh.129.2183M. doi:10.1002/ange.201611770.
  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". 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". Angewandte Chemie. 132 (13): 5306–5310. doi:10.1002/ange.201913287. ISSN 0044-8249. S2CID 241966992.
  27. 1 2 3 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". Angewandte Chemie International Edition. 56 (32): 9492–9496. doi:10.1002/anie.201705672. PMID 28631860.
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