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]
	NaGa(IO3)3F	636.41	monoclinic	P21/c	a=14.120 b=4.9149 c=13.631 β=112.968° Z=4			band gap 4.27 eV; birefringence Δnexp = 0.203 at 1064 nm	[6][7]
	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				[8]
yttrium diiodate fluoride	Y(IO3)2F	457.71	hexagonal	P63	a=6.8455 c=21.807 Z=6	885.0	5.153	white	[9]
	ZrF2(IO3)2		monoclinic	C2/c	a=16.352 b=5.2819 c=7.459 β=104.31°				[8]
	Cd3(IO3)(IO4)F2·0.1CdO			R3m	a =15.286 c=9.574			SHG 3.0xKDP band gap 4.0 eV	[10]
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	[11]
	CsVO2F(IO3)	409.75	orthorhombic	Pna21	a=7.8974 b=10.2644 c=7.3854 Z=4	598.68	4.546	alkaline metals	[12]
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	[13]
	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	[14]
	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	[14]
	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	[14]
	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	[14]
	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	[15]
	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	[15]
	LaZr(IO3)5F2		monoclinic	P21/n	a=7.5227 b=18.5262 c=10.3238 β=93.155°			band gap 4.13 eV	[16]
	Ce(IO3)3F		monoclinic	P21/c	a =6.9430 b =8.2205 c=29.9956 β 89.976° Z=8	1712.00	5.306		[17]
	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	[18]
	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	[19]
	CaCe(IO3)3(IO3F)F		orthorhombic	Pna21	a=11.068 b=18.151 c=6.0301				[20]
	HfF2(IO3)2							band gap 4.11 eV	[21]
	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	[22]
	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	[23]
	PbF(IO3)		orthorhombic	C2ma	a = 6.0438 b = 5.7840 c = 11.0731 Z=2				[24]
	PbF(IO3)		monoclinic	P11n	a=4.1581 b=4.1548 c=11.0416 β=92.47°				[24]
	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	[25]
	Bi3OF3(IO3)4	1399.54	hexagonal	P63mc	a=10.880 c=6.993	716.8	6.484	colourless SHG	[26]
	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	[27]
	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	[28]
	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	[28]
	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	[28]