Iodate fluoride

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Class of chemical compounds

Theiodate fluorides are chemical compounds which contain bothiodate andfluoride anions (IO₃⁻ and F⁻). In these compounds fluorine is not bound to iodine as it is influoroiodates.^[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

[edit]

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=4.9954b=5.2110c =12.5179β=95.347°				^[3]
	NiIO₃F		monoclinic	P2₁/n					^[3]
zinc iodate fluoride	ZnIO₃F	259.27	monoclinic	P2₁/n	a=5.030 b=5.227 c=12.471β=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=12.6619β=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=13.631β=112.968° Z=4			band gap 4.27 eV; birefringence Δn_exp = 0.203 at 1064 nm	^[6]^[7]
	NaGa(IO₃)₂F₂	480.51	monoclinic	P2₁/c	a=10.8243b=4.8603c=13.593β=104.750° Z=4	691.6	6.615		^[6]
	RbGaF₃(IO₃)		orthorhombic	Pnma	a=7.8109b=7.2758c=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=16.352b=5.2819c=7.459β=104.31°				^[8]
	Cd₃(IO₃)(IO₄)F₂·0.1CdO			R3m	a =15.286c=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=6.28β=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=6.0450β=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=7.5227b=18.5262c=10.3238β=93.155°			band gap 4.13 eV	^[16]
	Ce(IO₃)₃F		monoclinic	P2₁/c	a =6.9430b =8.2205c=29.9956β 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 =12.5663b =5.5853c=17.1623β=95.953° Z=4	1198.07	4.943	yellow	^[19]
	CaCe(IO₃)₃(IO₃F)F		orthorhombic	Pna2₁	a=11.068b=18.151c=6.0301				^[20]
	HfF₂(IO₃)₂							band gap 4.11 eV	^[21]
	CsHfF₄(IO₃)	562.30	orthorhombic	Ima2	a=7.4321b=11.156c=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=11.0416β=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]

References

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^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.
^^a ^bLiu, 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.
^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.
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^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.
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^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.62 (37):15329–15333.doi:10.1021/acs.inorgchem.3c02651.ISSN 0020-1669.PMID 37677152.S2CID 261607422.
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^^a ^bBelokoneva, 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.
^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.
^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.
^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.Bibcode:2020AngCh.132.5306F.doi:10.1002/ange.201913287.ISSN 0044-8249.S2CID 241966992.
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