lithium iodate | 13765-03-2

• 物质功能分类: 无机化工 - 无机盐 - 金属卤化物及卤酸盐
• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 碱金属含氧阴离子化合物
• 英文名称: lithium iodate
• 英文别名: lithium iodiate；lithium;iodate
• CAS: 13765-03-2
• 化学式: IO₃*Li
• 分子量: 181.844
• InChiKey: FZAXZVHFYFGNBX-UHFFFAOYSA-M

物化性质

• 熔点：
  50–60℃ [HAW93]
• 密度：
  4.487
• 溶解度：
  不溶于乙醇
• 稳定性/保质期：

  碘酸锂有两种同质异构体，即α-LiIO3和β-LiIO3。这里介绍的是α-LiIO3。α-LiIO3属于非铁电性的极性晶体，具有旋光、热释电、压电、非线性光学及电光学效应。这种晶体无色透明，是负光性单轴晶体。虽然不是铁电体且不存在内电场，但α-LiIO3具有较强的抗光性能，并且尽管水溶性较强，不易潮解，能够承受较高的激光功率密度。

  此外，α-LiIO3晶体具备高压电耦合、低声表面波速度以及较低的延时温度系数和零功率流角特性，是制作长延迟线的理想材料。同时，它也具有良好的压电性能，适合作为换能器材料。

  1. 稳定性
     稳定

  2. 禁配物
     还原剂、易燃或可燃物、活性金属粉末、硫、磷

  3. 避免接触的条件
     受热

  4. 聚合危害
     不会聚合

  5. 分解产物
     碘化物、氧化锂

计算性质

• 辛醇/水分配系数(LogP)：
  -9.56
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  5.1
• 危险品标志：
  O,T
• 安全说明：
  S17,S22,S36/37/39,S45,S53
• 危险类别码：
  R61
• WGK Germany：
  3
• 危险品运输编号：
  UN 1479 5.1/PG 2
• 包装等级：
  II
• 危险类别：
  5.1
• 危险标志：
  GHS03,GHS07,GHS08
• 危险性描述：
  H272,H315,H319,H335,H360
• 危险性防范说明：
  P201,P220,P261,P305 + P351 + P338,P308 + P313

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Lithium iodate
CAS-No. : 13765-03-2
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Oxidizing solids (Category 2)
Skin irritation (Category 2)
Eye irritation (Category 2)
Reproductive toxicity (Category 1B)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
May cause harm to the unborn child. Contact with combustible material may cause fire. Irritating to eyes,
respiratory system and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Danger
Hazard statement(s)
H272 May intensify fire; oxidiser.
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
H360 May damage fertility or the unborn child.
Precautionary statement(s)
P201 Obtain special instructions before use.
P220 Keep/Store away from clothing/ combustible materials.
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P308 + P313 IF exposed or concerned: Get medical advice/ attention.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R61 May cause harm to the unborn child.
R8 Contact with combustible material may cause fire.
R36/37/38 Irritating to eyes, respiratory system and skin.
S-phrase(s)
S53 Avoid exposure - obtain special instructions before use.
S17 Keep away from combustible material.
S22 Do not breathe dust.
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection.
S45 In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
Restricted to professional users.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : ILiO3
Molecular Weight : 181,84 g/mol
Component Concentration
Lithiumiodat
CAS-No. 13765-03-2 -
EC-No. 237-365-2

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
Large doses of lithium ion have caused dizziness and prostration, and can cause kidney damage if sodium
intake is limited. Dehydration, weight loss, dermatological effects, and thyroid disturbances have been
reported. Central nervous system effects that include slurred speech, blurred vision, sensory loss, ataxia,
and convulsions may occur. Diarrhea, vomiting, and neuromuscular effects such as tremor, clonus, and
hyperactive reflexes may occur as a result of repeated exposure to lithium ion., Prolonged exposure to
iodides may produce iodism in sensitive individuals. Symptoms of exposure include: skin rash, running
nose, headache and irritation of the mucous membrane. For severe cases the skin may show pimples,
boils, hives, blisters and black and blue spots. Iodides are readily diffused across the placenta. Neonatal
deaths from respiratory distress secondary to goiter have been reported. Iodides have been known to
cause drug-induced fevers, which are usually of short duration., To the best of our knowledge, the
chemical, physical, and toxicological properties have not been thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Lithium oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Sweep up and shovel. Contain spillage, and then collect with an electrically protected vacuum cleaner or
by wet-brushing and place in container for disposal according to local regulations (see section 13). Keep
in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.Avoid exposure - obtain special
instructions before use.
Provide appropriate exhaust ventilation at places where dust is formed.Keep away from sources of ignition
- No smoking.Keep away from heat and sources of ignition.Normal measures for preventive fire protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Impervious clothing., The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
respirators and components tested and approved under appropriate government standards such
as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: crystalline
Colour: white
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point not applicable
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties The substance or mixture is classified as oxidizing with the category 2.
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong acids, Strong reducing agents, Organic materials, Powdered metals
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Inhalation: no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
Prolonged or repeated exposure may cause allergic reactions in certain sensitive individuals.
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
Presumed human reproductive toxicant
Specific target organ toxicity - single exposure
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes
Causes serious eye irritation.
Signs and Symptoms of Exposure
Large doses of lithium ion have caused dizziness and prostration, and can cause kidney damage if sodium
intake is limited. Dehydration, weight loss, dermatological effects, and thyroid disturbances have been
reported. Central nervous system effects that include slurred speech, blurred vision, sensory loss, ataxia,
and convulsions may occur. Diarrhea, vomiting, and neuromuscular effects such as tremor, clonus, and
hyperactive reflexes may occur as a result of repeated exposure to lithium ion., Prolonged exposure to
iodides may produce iodism in sensitive individuals. Symptoms of exposure include: skin rash, running
nose, headache and irritation of the mucous membrane. For severe cases the skin may show pimples,
boils, hives, blisters and black and blue spots. Iodides are readily diffused across the placenta. Neonatal
deaths from respiratory distress secondary to goiter have been reported. Iodides have been known to
cause drug-induced fevers, which are usually of short duration., To the best of our knowledge, the
chemical, physical, and toxicological properties have not been thoroughly investigated.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
company. Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: 1479 IMDG: 1479 IATA: 1479
UN proper shipping name
ADR/RID: OXIDIZING SOLID, N.O.S. (Lithiumiodat)
IMDG: OXIDIZING SOLID, N.O.S. (Lithiumiodat)
IATA: Oxidizing solid, n.o.s. (Lithiumiodat)
Transport hazard class(es)
ADR/RID: 5.1 IMDG: 5.1 IATA: 5.1
Packaging group
ADR/RID: II IMDG: II IATA: II
Environmental hazards
ADR/RID: yes IMDG Marine Pollutant: yes IATA: no
Special precautions for user
no data available

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Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

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Section 16. OTHER INFORMATION
Further information
Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

制备方法与用途

理化性质

碘酸锂是一种无色且具有光泽的结晶，具有潮解性。它溶于水而不溶于醇，并表现出较强的氧化性，可以助燃。与还原剂接触时能发生强烈反应，引发燃烧甚至爆炸。受热分解后会释放出有毒的碘化物烟气。碘酸锂的莫氏硬度为3.5–4，在298 K（25 °C；77 °F）下的线性热膨胀系数分别为2.8·10−5/°C (a-轴)和4.8·10−5/°C (c-轴)。在50 °C（122 °F）时会不可逆地转化为β型。

应用

碘酸锂（化学式：LiIO3），是一种负单轴晶体，适用于非线性声光和压电应用。它已经在347 nm的红宝石激光器中得到了实际应用，并作为制备倍频碘酸锂单晶的原料。此外，碘酸锂可用作氧化剂；在激光技术领域，它可以产生二次谐波和参量振荡介质；亦可制作用于航空、化工、冶金及石油工业中的窄脉冲与宽频带超声换能器；还用作分析试剂和催化剂。

制备

碘酸锂可通过将碘酸与碳酸锂反应制得：

2HIO3 + Li2CO3 → 2LiIO3 + CO2 + H2O

α-LiIO3晶体可以通过恒温蒸发法生长。

毒性

碘酸锂可能引起出生缺陷，孕妇不宜使用。频繁接触碘化物可能导致胎儿死亡、严重的甲状腺肿大及功能衰竭，新生儿则可能出现克汀病样的症状。

注意事项 危险性概述

碘酸锂有毒，对皮肤和粘膜有刺激作用，并助燃且具有刺激性。

急救措施

• 皮肤接触：脱去受污染的衣物，用肥皂水及清水彻底清洗受影响区域。
• 眼睛接触：提起眼睑，使用流动清水或生理盐水冲洗。必要时就医。
• 吸入：迅速将患者移离现场至空气新鲜处，并保持呼吸道畅通；如呼吸困难提供氧气支持；若停止呼吸立即进行人工呼吸并送医救治。
• 食入：喝足够的温水，催吐后及时就医。

操作处置与储存

操作时需在密闭环境中进行，并确保有局部通风措施。操作人员应经过专门培训，并严格遵循操作规程。建议佩戴自吸过滤式防尘口罩、化学安全防护眼镜、橡胶手套以及胶布防毒衣。远离火源和热源，严禁在工作场所吸烟；避免与易燃物或还原剂接触。搬运时要轻拿轻放，防止容器损坏。配备相应的灭火器材及泄漏应急处理设备。使用后空瓶可能残留有害物质。

储存注意事项

碘酸锂应储存在阴凉、通风良好的库房中，并远离火源和热源。储存容器需密封保存，并与易燃物或还原剂等分开存放，切勿混合储存。储藏区域必须配备适当的泄漏处理装置以确保安全。

反应信息

• 作为反应物：
  描述：

  lithium iodate 在 oxygen 、 LiOH 作用下， 生成 lithium periodate
  参考文献：
  名称：

  Dratovsky, M.; Dvorakova, E.; Rytir, Z., Acta Chimica Academiae Scientiarum Hungaricae, 1982, vol. 110, # 2, p. 175 - 182

  摘要：

  DOI：
• 作为产物：
  描述：

  高碘酸锂二水合物 在 LiNO₃ 作用下， 以 melt 为溶剂， 生成 lithium iodate
  参考文献：
  名称：

  Dratovsky, M.; Dvorakova, E.; Rytir, Z., Acta Chimica Academiae Scientiarum Hungaricae, 1982, vol. 110, # 2, p. 175 - 182

  摘要：

  DOI：

文献信息

• Oxygen exchange between iodate and water: catalysis by hydrogen and hydroxide lons
  作者：Hans von Felten、Heinz Gamsjäger、Peter Baertschi

  DOI：10.1039/dt9760001683

  日期：——

  The 18O-exchange reaction between iodate ions and water has been investigated using a rapid chemical-quenching technique. Over the range 2.1 < pH < 12.5 the exchange occurs by hydrogen- and hydroxide-ion catalysed paths according to the rate law (i). At 5 ° C and I= 1.0 mol dm–3(Li[ClO4]) the rate constants are k0 < 0.01 s–1, R/[IO3–]=k0+k1[H+]+k2[H+]2+k3[OH–](i)k1=(3.20 ± 0.11)× 103 dm3 mol–1 s–1

  碘酸根离子与水之间的18 O交换反应已使用快速化学猝灭技术进行了研究。在2.1
• Iodide-Iodates M₃[IO₃]₁₂·Ag₄I, M = Bi, Tb, with a Framework Structure and High Second-Harmonic Generation Optical Response
  作者：Elena L. Belokoneva、Sergey Yu. Stefanovich、Olga V. Dimitrova、Alina S. Karamysheva、Anatoly S. Volkov

  DOI：10.1021/acs.inorgchem.6b02191

  日期：2017.2.6

  Single crystals of two new iodide-iodates, Bi3[IO3]12·Ag4I and Tb3[IO3]12·Ag4I, are synthesized in hydrothermal systems. The anionic parts in both iodide-iodates are characterized as a complex charged framework of isolated IO3 umbrella-like groups and large Bi(Tb)–O polyhedra similar to those previously found in La3[IO3]12[IO3](Pb3O). Broad channels along the c-axis contain compensators: (Ag3I)2+ umbrella-like

  在水热系统中合成了两种新的碘化物碘酸盐Bi 3 [IO 3 ] 12 ·Ag 4 I和Tb 3 [IO 3 ] 12 ·Ag 4 I的单晶。两种碘化物-碘酸盐中的阴离子部分均具有复杂的带电结构，该结构由孤立的IO 3伞状基团和大的Bi（Tb）-O多面体组成，类似于先前在La 3 [IO 3 ] 12 [IO 3 ]（铅3 O）。沿c轴的宽通道包含补偿器：（Ag 3 I）2+伞状组和附加的Ag +，其形成的Ag离子4个4+与我增强四面体簇-卤素。与先前已知的含铅化合物REE 3 [IO 3 ] 12 [IO 3 ]（Pb 3 O）相比，新碘酸盐具有明显更高的二阶非线性光学特性，REE = La，Pr，Nd。差异与新碘化物-碘酸盐通道中伞状（Ag 3 I）2+基团的极性排序有关。此外，平面配位的Ag原子在形成[Ag 4 I] 3+的伞中添加了三个Ag原子 通道中的极地星团。
• Structures, Thermal Behaviors, and Luminescent Properties of Anhydrous Lanthanum Iodate Polymorphs
  作者：Mohamed B. Taouti、Yan Suffren、Olivier Leynaud、Djamal Benbertal、Alain Brenier、Isabelle Gautier-Luneau

  DOI：10.1021/acs.inorgchem.5b00187

  日期：2015.4.6

  The structural and thermal studies of six anhydrous lanthanum iodate polymorphs are presented. The variation of the [IO3–]:[La3+] molar ratio in the starting solution and the evaporation rate of the solution leads to either the centric La(IO3)3(HIO3) or the acentric La(IO3)3(HIO3)1.33 phases. The crystal structure of La(IO3)3(HIO3)1.33 was determined. The thermal treatments of these two phases up to

  介绍了六种无水碘酸镧多晶型物的结构和热研究。起始溶液中[IO 3 – ]：[La 3+ ]摩尔比的变化和溶液的蒸发速率导致中心La（IO 3）3（HIO 3）或中心La（IO 3））3（HIO 3）1.33相。确定了La（IO 3）3（HIO 3）1.33的晶体结构。这两个阶段的热处理温度高达490°C，导致产生β-La（IO 3）3，在室温下观察。为了更好地理解La（IO 3）3（HIO 3）1.33和La（IO 3）3（HIO 3）化合物的相似热行为及其结构演变，热重分析-差热分析（​​TG-DTA），差示扫描量热法（DSC）分析和原位温度依赖性粉末X射线衍射（XRD）实验进行。这些实验使我们能够突出δ-La（IO 3）3和γ-La（IO 3）3的连续形成。δ-La（IO 3）3从La（IO 3）3（HIO 3）1.33（在340°C）或La（IO 3）3（HIO 3）（在300°C）
• Polymorphism of Anhydrous Cadmium Iodate Structure of ?-Cd(IO3)2
  作者：Bachir Bentria、Djamal Benbertal、Zoulikha Hebboul、Muriel Bagieu-Beucher、Alain Mosset

  DOI：10.1002/zaac.200400298

  日期：2005.4

  system, in aqueous and HNO3 solutions, revealed that anhydrous cadmium iodate presents a marked polymorphism. No less than four new Cd(IO3)2polymorphs have been isolated and characterized, two of which showing second harmonic generation activity. Single crystals of e-Cd(IO3)2 are obtained by slowly evaporating, at 60 °C, a saturated solution of γ-Cd(IO3)2 in 30 % nitric acid. This compound crystallizes

  对 CdCl2-HIO3 体系在水溶液和 HNO3 溶液中的研究表明，无水碘酸镉具有显着的多态性。已经分离和表征了至少四种新的 Cd(IO3)2 多晶型物，其中两种显示出二次谐波产生活性。e-Cd(IO3)2 单晶是通过在 60 °C 下缓慢蒸发 30% 硝酸中的 γ-Cd(IO3)2 饱和溶液获得的。该化合物在正交空间群 Pca21 中结晶 [a = 17.581(2), b = 5.495(2), c = 11.163(2) A]。基本结构单元可以描述为两个镉多面体的连接，金属-金属距离为3.88A。这些单元通过另外两个碘酸盐桥进一步连接，形成平行于（100）平面的层。第四碘酸盐组的短键确保了 3D 连接。
• Localization of Protons in Li1-H IO3 by Single-Crystal Neutron Diffraction
  作者：J. Le Roy、C. Rosso、J. Bouillot、J.-M. Crettez、J.-X. Boucherle、M. Bonnet

  DOI：10.1006/jssc.1995.1139

  日期：1995.3

  iodate-iodic acid solid solution Li1-xHxIO3 (x = 0.28) have been refined at 60 K and at room temperature from single-crystal neutron diffraction data with a good reliability factor (about 2%). The lattice parameters are a = 5.494(7) Å, c = 4.924(2) Å at 60 K and a = 5.514(3) Å, c = 4.960(3) Å at RT. The proton does not replace the lithium atom but is located in a general position of the space group P63, x = 0

  碘酸锂-碘酸锂固溶体Li 1- x H x IO 3（x = 0.28）的结构参数已在60 K和室温下从单晶中子衍射数据中以良好的可靠性因子（约2％）进行了改进。 。晶格参数是一个= 5.494（7），C ^ = 4.924（2）在60 K和一个= 5.514（3）埃，c ^ = 4.960（3）在室温下。质子不取代锂原子，而是位于空间群P 6 3的大致位置，x = 0.240（4），y = 0.299（4）和z=在RT时为-0.042（6），并且其热椭球得到了很好的定义。氢位点位于锂位点周围变形的氧八面体的六个侧面边缘中的三个。