Zr 40

Zirconium (Zr)

transition-metal
周期: 5 族: 4 区: d

Solid

标准原子量

91.224 u

电子排布

[Kr] 5s2 4d2

熔点

1854.85 °C

沸点

4408.85 °C

密度

6520 kg/m³

氧化态

+1, +2, +3, +4

电负性(鲍林)

1.33

第一电离能

6.634126 eV

发现年份

1789

原子半径

155 pm

详细信息

名称来源 From the mineral, zircon.
发现国家 Germany
发现者 Martin Klaproth

Zirconium is a lustrous transition metal in group 4, chemically close to hafnium and titanium. It occurs mainly in zircon and related heavy minerals, almost always with hafnium as a companion. The metal is valued for its very low thermal-neutron absorption and its stable, adherent oxide film, which give it a central role in nuclear reactor materials and in corrosion-resistant alloys.

Reactor-grade zirconium is essentially free of hafnium. Zircaloy(R) is an important alloy developed specifically for nuclear applications. Zirconium is exceptionally resistant to corrosion by many common acids and alkalis, by sea water, and by other agents. Alloyed with zinc, zirconium becomes magnetic at temperatures below 35°K.

The name derives from the Arabic zargun for "gold-like". It was discovered in zirconia by the German chemist Martin-Heinrich Klaproth in 1789. Zirconium was first isolated by Swedish chemist Jöns Jacob Berzelius in 1824 in an impure state, and finally by the chemists D. Lely, Jr. and L. Hamburger in a pure state in 1914.

Zirconium was discovered by Martin Heinrich Klaproth, a German chemist, while analyzing the composition of the mineral jargon (ZrSiO4) in 1789. Zirconium was isolated by Jöns Jacob Berzelius, a Swedish chemist, in 1824 and finally prepared in a pure form in 1914. Obtaining pure zirconium is very difficult because it is chemically similar to hafnium, an element which is always found mixed with deposits of zirconium. Today, most zirconium is obtained from the minerals zircon (ZrSiO4) and baddeleyite (ZrO2) through a process known as the Kroll Process.

From the Persian zargun, gold like. Zircon, the primary gemstone of zirconium, is also known as jargon, hyacinth, jacinth, or ligure. This mineral, or its variations, is mentioned in biblical writings. The mineral was not known to contain a new element until Klaproth, in 1789, analyzed a jargon from Ceylon and identified the new element, which Werner named zircon (silex circonius), and which Klaproth called Zirkonertz (zirconia). The impure metal was first isolated by Berzelius in 1824 by heating a mixture of potassium and potassium zirconium fluoride in a small decomposition process they developed.

图片

性质

物理性质

原子半径(经验值)
155 pm 比较所有元素的原子半径(经验值) →
共价半径
175 pm 比较所有元素的共价半径 →
范德华半径
186 pm 比较所有元素的范德华半径 →
金属半径
145 pm 比较所有元素的金属半径 →
密度
6520 kg/m³ 比较所有元素的密度 →
摩尔体积
0.0141 L/mol
标准温度和压力下的物相
固态 比较所有元素的标准温度和压力下的物相 →
熔点
1854.85 °C 比较所有元素的熔点 →
沸点
4408.85 °C 比较所有元素的沸点 →
热导率
22.7 W/(m·K) 比较所有元素的热导率 →
比热容
0.278 J/(g·K) 比较所有元素的比热容 →
摩尔热容
25.36 J/(mol·K) 比较所有元素的摩尔热容 →
晶体结构
六方密堆积 比较所有元素的晶体结构 →

化学性质

电负性(鲍林)
1.33 比较所有元素的电负性(鲍林) →
电负性(Allen)
1.32
电子亲和能
0.426 eV
第一电离能
6.634126 eV 比较所有元素的第一电离能 →
第二电离能
13.130045 eV 比较所有元素的第二电离能 →
第三电离能
23.17008 eV 比较所有元素的第三电离能 →
第四电离能
34.418478 eV 比较所有元素的第四电离能 →
第五电离能
80.348277 eV 比较所有元素的第五电离能 →
氧化态
+1, +2, +3, +4 比较所有元素的氧化态 →
价电子
4 比较所有元素的价电子 →
电子排布
[Kr] 5s2 4d2

热力学性质

熔化热
0.17515676 eV 比较所有元素的熔化热 →
汽化热
5.938747 eV 比较所有元素的汽化热 →
升华热
6.311862 eV
原子化热
6.311862 eV
原子化焓
6.322226 eV

核性质

质子
40 比较所有元素的质子 →
中子
50 比较所有元素的中子 →
已知同位素
37 比较所有元素的已知同位素 →
稳定同位素
3 比较所有元素的稳定同位素 →
最稳定同位素
Zr-90
发现年份
1789

丰度

丰度(地壳)
165 mg/kg 比较所有元素的丰度(地壳) →
丰度(海洋)
3 × 10−5 mg/L 比较所有元素的丰度(海洋) →

晶体结构

晶格常数a
323 pm

电子结构

各电子层电子数
2, 8, 18, 10, 2 比较所有元素的各电子层电子数 →

标识符

CAS登记号
7440-67-7 比较所有元素的CAS登记号 →
谱项符号
3F2
InChI
InChI=1S/Zr
InChI Key
QCWXUUIWCKQGHC-UHFFFAOYSA-N

电子排布 实测值

离子电荷
质子 40
电子 40
电荷 中性
电子排布 Zr: 4d² 5s²
电子排布
实测值
[Kr] 4d² 5s²
1s² 2s² 2p⁶ 3s² 3p⁶ 3d¹⁰ 4s² 4p⁶ 4d² 5s²
轨道图
1s
2/2
2s
2/2
2p
6/6
3s
2/2
3p
6/6
4s
2/2
3d
10/10
4p
6/6
5s
2/2
4d
2/10 2↑
电子总数: 40 未配对: 2 ?

原子模型

质子 40
中子 50
电子 40
质量数 90
稳定性 稳定

不同同位素的中子数、质量和稳定性不同,但中性原子的电子排布不变。

原子模型示意图,未按比例绘制。

原子指纹

发射 / 吸收光谱

25 / 51 (50 50条具有强度数据)
实测值
发射 可见光:380–750 nm

同位素分布

9051.4500%9217.1500%9111.2200%质量数天然丰度(%)
质量数原子质量(u)天然丰度半衰期
90 稳定89.9046977 ± 0.00000251.4500%稳定
91 稳定90.9056396 ± 0.00000211.2200%稳定
92 稳定91.9050347 ± 0.00000217.1500%稳定
实测值

物相 / 状态

1 atm / 101.325 kPa
固态 25 °C (298.15 K)

原因: 低于熔点(1854.85 °C)1829.8 °C

熔点 1854.85 °C
沸点 4408.85 °C
低于熔点的温差 1829.8 °C
0 K 当前温度: 25 °C 6000 K
物相变化轴

示意图,未按比例绘制

固态
液态
气态
熔化
沸腾
25°C
固态
液态
气态
当前

相变点

熔点 文献值
1854.85 °C
沸点 文献值
4408.85 °C
当前物相 计算值
固态

相变能

熔化热 文献值
0.17515676 eV

在熔点熔化1 mol物质所需的能量

汽化热 文献值
5.938747 eV

在沸点汽化1 mol物质所需的能量

升华热 文献值
6.311862 eV

在升华点升华1 mol物质所需的能量

密度

参考密度 文献值
6520 kg/m³

标准条件下

当前密度 计算值
6520 kg/m³

标准条件下

原子光谱

已显示10项,共40项。 按离子电荷升序排列。

收录谱线 ?

离子电荷谱线总数跃迁概率能级标记
Zr I 045900
Zr II +120700
Zr III +2490490490
Zr IV +376076
Zr V +410400
Zr VI +5427427427
NIST收录谱线 →

收录能级 ?

离子电荷能级
Zr I 0262
Zr II +1136
Zr III +2140
Zr IV +335
Zr V +4102
Zr VI +597
Zr VII +62
Zr VIII +72
Zr IX +82
Zr X +92
NIST收录能级 →
40 Zr 91.224

Zirconium — 原子轨道可视化工具

[Kr]5s24d2
能级 2 8 18 10 2
氧化态 +1, +2, +3, +4
HOMO 4d n=4 · l=2 · m=-2
Zirconium — 原子轨道可视化预览
Three.js仅在需要时加载
40 Zr 91.224

Zirconium — 晶体结构可视化工具

简单六方 · 皮尔逊符号 hP2
实验数据
皮尔逊符号 hP2
配位数 12
堆积系数 75.514%
Zirconium — 晶体结构可视化预览
Three.js仅在需要时加载

离子半径

电荷配位自旋半径
+44暂无59 pm
+45暂无66 pm
+46暂无72 pm
+47暂无78 pm
+48暂无84 pm
+49暂无89 pm

化合物

Zr
91.220 u
Zr+4
91.220 u
Zr
88.909 u
Zr
94.908 u
Zr
92.906 u
Zr
87.910 u
Zr
96.911 u
Zr
85.916 u
Zr
89.905 u
Zr+2
91.220 u
Zr+3
91.220 u
Zr+4
88.909 u
Zr+4
93.906 u
Zr
93.906 u
Zr+4
89.905 u
Zr
90.906 u
Zr
91.905 u
Zr
95.908 u

同位素 (3)

Naturally occurring zirconium contains five isotopes. Fifteen other isotopes are known to exist. Zircon, ZrSiO4, the principal ore, is pure ZrO2 in crystalline form having a hafnium content of about 1%. Zirconium also occurs in some 30 other recognized mineral species. Zirconium is produced commercially by reduction of chloride with magnesium (the Kroll Process), and by other methods. It is a grayish-white lustrous metal. When finely divided, the metal may ignite spontaneously in air, especially at elevated temperatures. The solid metal is much more difficult to ignite. The inherent toxicity of zirconium compounds is low. Hafnium is invariably found in zirconium ores, and the separation is difficult.

质量数原子质量(u)天然丰度半衰期衰变方式
90 稳定89.9046977 ± 0.00000251.4500% ± 0.4000%稳定
stable
91 稳定90.9056396 ± 0.00000211.2200% ± 0.0500%稳定
stable
92 稳定91.9050347 ± 0.00000217.1500% ± 0.0800%稳定
stable
90 稳定
原子质量(u) 89.9046977 ± 0.000002
天然丰度 51.4500% ± 0.4000%
半衰期 稳定
衰变方式
stable
91 稳定
原子质量(u) 90.9056396 ± 0.000002
天然丰度 11.2200% ± 0.0500%
半衰期 稳定
衰变方式
stable
92 稳定
原子质量(u) 91.9050347 ± 0.000002
天然丰度 17.1500% ± 0.0800%
半衰期 稳定
衰变方式
stable

谱线

波长(nm)强度电离级类型跃迁准确度来源
382.0196 nm5Zr IIIemission4d.4f 3G* → 4d.(2D<5/2>).5g 2[7/2]实测值NIST
382.4611 nm250Zr IIIemission4d.4f 3H* → 4d.(2D<3/2>).5g 2[9/2]实测值NIST
382.7722 nm300Zr IIIemission4d.4f 3F* → 4d.(2D<3/2>).5g 2[7/2]实测值NIST
382.923 nm600Zr IIIemission4d.4f 3H* → 4d.(2D<3/2>).5g 2[11/2]实测值NIST
383.0087 nm250Zr IIIemission4d.4f 1D* → 4d.(2D<5/2>).5g 2[7/2]实测值NIST
383.7038 nm10Zr IIIemission4d.4f 3G* → 4d.(2D<5/2>).5g 2[9/2]实测值NIST
384.2399 nm270Zr IIIemission4d.4f 3F* → 4d.(2D<3/2>).5g 2[9/2]实测值NIST
390.7626 nm5Zr IIIemission4d.4f 3G* → 4d.(2D<5/2>).5g 2[7/2]实测值NIST
391.0786 nm3Zr IIIemission4d.4f 3G* → 4d.(2D<5/2>).5g 2[13/2]实测值NIST
391.6928 nm100Zr IIIemission4d.4f 3F* → 4d.(2D<3/2>).5g 2[9/2]实测值NIST
392.0624 nm400Zr IIIemission4d.4f 3G* → 4d.(2D<5/2>).5g 2[11/2]实测值NIST
392.5804 nm200Zr IIIemission4d.4f 3G* → 4d.(2D<5/2>).5g 2[9/2]实测值NIST
392.694 nm120Zr IIIemission4d.4f 3G* → 4d.(2D<5/2>).5g 2[9/2]实测值NIST
393.1478 nm100Zr IIIemission5s.5p 3P* → 4d.5d 3S实测值NIST
396.3178 nm500Zr IIIemission4d.4f 3G* → 4d.(2D<5/2>).5g 2[11/2]实测值NIST
396.5231 nm10Zr IIIemission4d.4f 3G* → 4d.(2D<5/2>).5g 2[11/2]实测值NIST
397.1691 nm200Zr IIIemission4d.4f 3G* → 4d.(2D<5/2>).5g 2[9/2]实测值NIST
397.3984 nm220Zr IIIemission4d.4f 1D* → 4d.(2D<3/2>).5g 2[5/2]实测值NIST
398.854 nm10Zr IIIemission4d.4f 3D* → 4d.(2D<5/2>).5g 2[5/2]实测值NIST
401.632 nm20Zr IIIemission4d.4f 3G* → 4d.(2D<3/2>).5g 2[7/2]实测值NIST
401.6949 nm35Zr IIIemission4d.4f 3G* → 4d.(2D<3/2>).5g 2[7/2]实测值NIST
401.7561 nm3Zr IIIemission4d.4f 1F* → 4d.(2D<5/2>).5g 2[7/2]实测值NIST
401.8142 nm140Zr IIIemission4d.4f 1F* → 4d.(2D<5/2>).5g 2[7/2]实测值NIST
403.2482 nm400Zr IIIemission4d.4f 3G* → 4d.(2D<3/2>).5g 2[9/2]实测值NIST
403.3591 nm180Zr IIIemission4d.4f 3D* → 4d.(2D<5/2>).5g 2[7/2]实测值NIST
403.6779 nm200Zr IIIemission4d.4f 1F* → 4d.(2D<5/2>).5g 2[9/2]实测值NIST
408.0264 nm5Zr IIIemission4d.4f 3G* → 4d.(2D<3/2>).5g 2[11/2]实测值NIST
408.7114 nm150Zr IIIemission4d.4f 3D* → 4d.(2D<5/2>).5g 2[5/2]实测值NIST
412.5432 nm200Zr IIIemission4d.4f 3G* → 4d.(2D<3/2>).5g 2[11/2]实测值NIST
412.6379 nm400Zr IIIemission4d.4f 3D* → 4d.(2D<5/2>).5g 2[7/2]实测值NIST
413.2087 nm200Zr IIIemission4d.4f 3G* → 4d.(2D<3/2>).5g 2[9/2]实测值NIST
413.7442 nm500Zr IVemission4p6.5d 2D → 4p6.6p 2P*实测值NIST
414.6654 nm20Zr IIIemission4d.4f 3D* → 4d.(2D<5/2>).5g 2[9/2]实测值NIST
415.3368 nm2Zr IIIemission4d.4f 3P* → 4d.(2D<5/2>).5g 2[3/2]实测值NIST
416.0827 nm250Zr IIIemission4d.4f 3D* → 4d.(2D<3/2>).5g 2[5/2]实测值NIST
416.5293 nm15Zr IIIemission4d.4f 3P* → 4d.(2D<5/2>).5g 2[5/2]实测值NIST
417.1353 nm20Zr IIIemission4d.4f 3P* → 4d.(2D<5/2>).5g 2[3/2]实测值NIST
417.2872 nm300Zr IIIemission4d.4f 3P* → 4d.(2D<5/2>).5g 2[5/2]实测值NIST
419.3504 nm275Zr IIIemission4d.4f 3D* → 4d.(2D<3/2>).5g 2[5/2]实测值NIST
419.7309 nm15Zr IIIemission4d.4f 3P* → 4d.(2D<5/2>).5g 2[3/2]实测值NIST
419.8266 nm3000Zr IVemission4p6.5d 2D → 4p6.6p 2P*实测值NIST
420.3546 nm200Zr IIIemission4d.4f 3P* → 4d.(2D<5/2>).5g 2[5/2]实测值NIST
423.5695 nm275Zr IIIemission4d.4f 1F* → 4d.(2D<3/2>).5g 2[7/2]实测值NIST
431.7077 nm2000Zr IVemission4p6.5d 2D → 4p6.6p 2P*实测值NIST
434.2686 nm400Zr IIIemission4d.4f 1H* → 4d.(2D<5/2>).5g 2[13/2]实测值NIST
440.7385 nm20Zr IIIemission4d.4f 1H* → 4d.(2D<5/2>).5g 2[11/2]实测值NIST
456.1637 nm50Zr IIIemission4d.4f 1P* → 4d.(2D<5/2>).5g 2[3/2]实测值NIST
456.922 nm1800Zr IVemission4p6.5g 2G → 4p6.6h 2H*实测值NIST
456.927 nm1800Zr IVemission4p6.5g 2G → 4p6.6h 2H*实测值NIST
460.8973 nm60Zr IIIemission4d.4f 1H* → 4d.(2D<3/2>).5g 2[11/2]实测值NIST
500.71 nm暂无ID 803emission2p 2P* → 2s 2S实测值NIST

扩展性质

共价半径(扩展)

共价半径(Pyykkö)
154 pm
共价半径(Pyykkö,双键)
127 pm
共价半径(Pyykkö,三键)
121 pm

范德华半径

Batsanov
230 pm
Alvarez
252 pm
UFF
312.4 pm
MM3
254 pm

原子半径与金属半径

原子半径(Rahm)
269 pm
金属半径(C12)
160 pm

编号标度

Mendeleev
44
Pettifor
49
Glawe
49

电负性标度

Ghosh
0
Miedema
3
Gunnarsson–Lundqvist
5
Robles–Bartolotti
4

极化率与色散

偶极极化率
112 a.u.
偶极极化率(不确定度)
13 a.u.
C₆ (Gould–Bučko)
1360 Ha·Bohr6

Miedema参数

Miedema摩尔体积
14 cm3/mol
Miedema电子密度
3

供应风险与经济性

生产集中度
39
相对供应风险
6
储量分布
40
政治稳定性(最大生产国)
75
政治稳定性(最大储量国)
75

相变与同素异形体

熔点2127.15 K
沸点4679.15 K

氧化态分类

+4 main
+2 extended
+3 extended
+1 extended

高级参考数据

屏蔽常数 (10)
n轨道σ
1s0.841
2p4.0072
2s10.6262
3d14.4331
3p16.1545
3s15.6385
4d26.9284
4p26.54
4s25.0984
5s33.5545
晶体半径详情 (6)
电荷CN自旋rcrystal (pm)来源
4IV73from r^3 vs V plots,
4V80calculated,
4VI86from r^3 vs V plots,
4VII92
4VIII98
4IX103
同位素衰变方式 (56)
同位素模式强度
77B+—
77B+p—
77p—
78B+—
78B+p—
79B+100%
79B+p—
80B+100%
81B+100%
81B+p0.1%
X射线散射因子 (724)
能量 (eV)f₁f₂
1—0.18706
1.0149—0.19051
1.0299—0.19402
1.0452—0.1976
1.0608—0.20124
1.0765—0.20499
1.0925—0.20885
1.1087—0.21277
1.1252—0.21677
1.142—0.22085

补充数据

Sources

Sources of this element.

Zirconium is produced from the mineral zircon (ZrSiO4). It is found in abundance in S-type stars, and has been identified in the sun and meteorites. Analysis of lunar rock samples obtained during the various Apollo missions to the moon show a surprisingly high zirconium oxide content, compared with terrestrial rocks.

参考文献 (1)

参考文献

(9)
2 Atomic Mass Data Center (AMDC), International Atomic Energy Agency (IAEA)
Zr

The half-life and atomic mass data was provided by the Atomic Mass Data Center at the International Atomic Energy Agency.

3 IUPAC Commission on Isotopic Abundances and Atomic Weights (CIAAW)
Zirconium

Element data are cited from the Atomic weights of the elements (an IUPAC Technical Report). The IUPAC periodic table of elements can be found at https://iupac.org/what-we-do/periodic-table-of-elements/. Additional information can be found within IUPAC publication doi:10.1515/pac-2015-0703 Copyright © 2020 International Union of Pure and Applied Chemistry.

4 IUPAC Periodic Table of the Elements and Isotopes (IPTEI)

The information are cited from Pure Appl. Chem. 2018; 90(12): 1833-2092, https://doi.org/10.1515/pac-2015-0703.

许可证说明: Copyright (c) 2020 International Union of Pure and Applied Chemistry. The International Union of Pure and Applied Chemistry (IUPAC) contribution within Pubchem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.
5 Jefferson Lab, U.S. Department of Energy
Zirconium

Thomas Jefferson National Accelerator Facility (Jefferson Lab) is one of 17 national laboratories funded by the U.S. Department of Energy. The lab's primary mission is to conduct basic research of the atom's nucleus using the lab's unique particle accelerator, known as the Continuous Electron Beam Accelerator Facility (CEBAF). For more information visit https://www.jlab.org/

许可证说明: Please see citation and linking information: https://education.jlab.org/faq/index.html
6 Los Alamos National Laboratory, U.S. Department of Energy
Zirconium

The periodic table at the LANL (Los Alamos National Laboratory) contains basic element information together with the history, source, properties, use, handling and more. The provenance data may be found from the link under the source name.

7 NIST Physical Measurement Laboratory
Zirconium

The periodic table contains NIST's critically-evaluated data on atomic properties of the elements. The provenance data that include data for atomic spectroscopy, X-ray and gamma ray, radiation dosimetry, nuclear physics, and condensed matter physics may be found from the link under the source name. Ref: https://www.nist.gov/pml/atomic-spectra-database

8 PubChem Elements
Zirconium

This section provides all form of data related to element Zirconium.

9 PubChem Elements
Zirconium

The element property data was retrieved from publications.

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