Iodate fluoride

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]
RbGaF3(IO3) orthorhombic Pnma a=7.8109 b=7.2758 c=10.1367 [6]
yttrium diiodate fluoride Y(IO3)2F 457.71 hexagonal P63 a=6.8455 c=21.807 Z=6 885.0 5.153 white [7]
ZrF2(IO3)2 monoclinic C2/c a=16.352 b=5.2819 c=7.459 β=104.31° [6]
Cd3(IO3)(IO4)F2·0.1CdO R3m a =15.286 c=9.574 SHG 3.0xKDP band gap 4.0 eV [8]
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 [9]
CsVO2F(IO3) 409.75 orthorhombic Pna21 a=7.8974 b=10.2644 c=7.3854 Z=4 598.68 4.546 alkaline metals [10]
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 [11]
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 [12]
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 [12]
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 [12]
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 [12]
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 [13]
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 [13]
LaZr(IO3)5F2 monoclinic P21/n a=7.5227 b=18.5262 c=10.3238 β=93.155° band gap 4.13 eV [14]
Ce(IO3)3F monoclinic P21/c a =6.9430 b =8.2205 c=29.9956 β 89.976° Z=8 1712.00 5.306 [15]
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 [16]
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 [17]
CaCe(IO3)3(IO3F)F orthorhombic Pna21 a=11.068 b=18.151 c=6.0301 [18]
HfF2(IO3)2 band gap 4.11 eV [19]
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 [20]
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 [21]
PbF(IO3) orthorhombic C2ma a = 6.0438 b = 5.7840 c = 11.0731 Z=2 [22]
PbF(IO3) monoclinic P11n a=4.1581 b=4.1548 c=11.0416 β=92.47° [22]
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 [23]
Bi3OF3(IO3)4 1399.54 hexagonal P63mc a=10.880 c=6.993 716.8 6.484 colourless SHG [24]
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 [25]
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 [26]
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 [26]
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 [26]

References
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