Zr 40

Zirconium (Zr)

transition-metal
Period: 5 Group: 4 Block: s

Solid

Standard Atomic Weight

91.224 u

Electron configuration

[Kr] 5s2 4d2

Melting point

1854.85 °C (2128 K)

Boiling point

4408.85 °C (4682 K)

Density

6520 kg/m³

Oxidation states

+1, +2, +3, +4

Electronegativity (Pauling)

1.33

Ionization energy (1st)

Discovery year

1789

Atomic radius

155 pm

Details

Name origin From the mineral, zircon.
Discovery country Germany
Discoverers 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.

Images

Properties

Physical

Atomic radius (empirical) 155 pm
Covalent radius 175 pm
Van der Waals radius 186 pm
Metallic radius 145 pm
Density
Molar volume 0.0141 L/mol
Phase at STP solid
Melting point 1854.85 °C
Boiling point 4408.85 °C
Thermal conductivity 22.7 W/(m·K)
Specific heat capacity 0.278 J/(g·K)
Molar heat capacity 25.36 J/(mol·K)
Crystal structure hcp

Chemical

Electronegativity (Pauling) 1.33
Electronegativity (Allen) 1.32
Electron affinity
Ionization energy (1st)
Ionization energy (2nd)
Ionization energy (3rd)
Ionization energy (4th)
Ionization energy (5th)
Oxidation states +1, +2, +3, +4
Valence electrons 4
Electron configuration
Electron configuration (semantic)

Thermodynamic

Heat of fusion 0.17515676 eV
Heat of vaporization 5.938747 eV
Heat of sublimation 6.311862 eV
Heat of atomization 6.311862 eV
Atomization enthalpy

Nuclear

Stable isotopes 4
Discovery year 1789

Abundance

Abundance (Earth's crust) 165 mg/kg
Abundance (ocean)

Reactivity

N/A

Crystal Structure

Lattice constant a 323 pm

Electronic Structure

Electrons per shell 2, 8, 18, 10, 2

Identifiers

CAS number 7440-67-7
Term symbol
InChI InChI=1S/Zr
InChI Key QCWXUUIWCKQGHC-UHFFFAOYSA-N

Electron Configuration Measured

Ion charge
Protons 40
Electrons 40
Charge Neutral
Configuration Zr: 4d² 5s²
Electron configuration
Measured
[Kr] 4d² 5s²
1s² 2s² 2p⁶ 3s² 3p⁶ 3d¹⁰ 4s² 4p⁶ 4d² 5s²
Orbital diagram
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↑
Total electrons: 40 Unpaired: 2 ?

Atomic model

Protons 40
Neutrons 50
Electrons 40
Mass number 90
Stability Stable

Isotopes change neutron count, mass, and stability — not the electron configuration of a neutral atom.

Schematic atomic model, not to scale.

Atomic Fingerprint

Emission / Absorption Spectrum

25 / 51 (50 with intensity)
Measured
Emission Visible: 380–750 nm

Isotope Distribution

9051.4500%9217.1500%9111.2200%Mass numberNatural abundance (%)
Mass numberAtomic mass (u)Natural abundanceHalf-life
90 Stable89.9046977 ± 0.00000251.4500%Stable
91 Stable90.9056396 ± 0.00000211.2200%Stable
92 Stable91.9050347 ± 0.00000217.1500%Stable
Measured

Phase / State

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

Reason: 1829.8 °C below melting point (1854.85 °C)

Melting point 1854.85 °C
Boiling point 4408.85 °C
Below melting by 1829.8 °C
0 K Current temperature: 25 °C 6000 K
Phase timeline

Schematic, not to scale

Solid
Liquid
Gas
Melting
Boiling
25°C
Solid
Liquid
Gas
Current

Phase transition points

Melting point Literature
1854.85 °C
Boiling point Literature
4408.85 °C
Current phase Calculated
Solid

Transition energies

Heat of fusion Literature
0.17515676 eV

Energy required to melt 1 mol at melting point

Heat of vaporization Literature
5.938747 eV

Energy required to vaporize 1 mol at boiling point

Heat of sublimation Literature
6.311862 eV

Energy required to sublime 1 mol at sublimation point

Density

Reference density Literature
6520 kg/m³

At standard conditions

Current density Calculated
6520 kg/m³

At standard conditions

Atomic Spectra

Showing 10 of 40 Atomic Spectra. Sorted by ion charge (ascending).

Lines Holdings ?

IonChargeTotal linesTransition probabilitiesLevel designations
Zr I 045900
Zr II +120700
Zr III +2490490490
Zr IV +376076
Zr V +410400
Zr VI +5427427427
NIST Lines Holdings →

Levels Holdings ?

IonChargeLevels
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 Levels Holdings →
40 Zr 91.224

Zirconium — Atomic Orbital Visualizer

[Kr]5s24d2
Energy levels 2 8 18 10 2
Oxidation states +1, +2, +3, +4
HOMO 4d n=4 · l=2 · m=-2
Zirconium — Atomic Orbital Visualizer Preview
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40 Zr 91.224

Zirconium — Crystal Structure Visualizer

Primitive Hexagonal · Pearson hP2
Experimental
Pearson hP2
Coord. № 12
Packing 75.514%
Zirconium — Crystal Structure Visualizer Preview
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Ionic Radii

ChargeCoordinationSpinRadius
+44N/A59 pm
+45N/A66 pm
+46N/A72 pm
+47N/A78 pm
+48N/A84 pm
+49N/A89 pm

Compounds

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

Isotopes (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.

Mass numberAtomic mass (u)Natural abundanceHalf-lifeDecay mode
90 Stable89.9046977 ± 0.00000251.4500% ± 0.4000%Stable
stable
91 Stable90.9056396 ± 0.00000211.2200% ± 0.0500%Stable
stable
92 Stable91.9050347 ± 0.00000217.1500% ± 0.0800%Stable
stable
90 Stable
Atomic mass (u) 89.9046977 ± 0.000002
Natural abundance 51.4500% ± 0.4000%
Half-life Stable
Decay mode
stable
91 Stable
Atomic mass (u) 90.9056396 ± 0.000002
Natural abundance 11.2200% ± 0.0500%
Half-life Stable
Decay mode
stable
92 Stable
Atomic mass (u) 91.9050347 ± 0.000002
Natural abundance 17.1500% ± 0.0800%
Half-life Stable
Decay mode
stable

Spectral Lines

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

Extended Properties

Covalent Radii (Extended)

Covalent radius (Pyykkö)  
Covalent radius (Pyykkö, double)  
Covalent radius (Pyykkö, triple)  

Van der Waals Radii

Batsanov  
Alvarez  
UFF  
MM3  

Atomic & Metallic Radii

Atomic radius (Rahm)  
Metallic radius (C12)  

Numbering Scales

Mendeleev
Pettifor
Glawe

Electronegativity Scales

Ghosh
Miedema
Gunnarsson–Lundqvist
Robles–Bartolotti

Polarizability & Dispersion

Dipole polarizability  
Dipole polarizability (unc.)  
C₆ (Gould–Bučko)  

Miedema Parameters

Miedema molar volume  
Miedema electron density

Supply Risk & Economics

Production concentration
Relative supply risk
Reserve distribution
Political stability (top producer)
Political stability (top reserve)

Phase Transitions & Allotropes

Melting point2127.15 K
Boiling point4679.15 K

Oxidation State Categories

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

Advanced Reference Data

Screening Constants (10)
nOrbitalσ
1s0.841
2p4.0072
2s10.6262
3d14.4331
3p16.1545
3s15.6385
4d26.9284
4p26.54
4s25.0984
5s33.5545
Crystal Radii Detail (6)
ChargeCNSpinrcrystal (pm)Origin
4IV73from r^3 vs V plots,
4V80calculated,
4VI86from r^3 vs V plots,
4VII92
4VIII98
4IX103
Isotope Decay Modes (56)
IsotopeModeIntensity
77B+
77B+p
77p
78B+
78B+p
79B+100%
79B+p
80B+100%
81B+100%
81B+p0.1%
X‑ray Scattering Factors (724)
Energy (eV)f₁f₂
10.18706
1.01490.19051
1.02990.19402
1.04520.1976
1.06080.20124
1.07650.20499
1.09250.20885
1.10870.21277
1.12520.21677
1.1420.22085

Additional Data

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.

References (1)

References

(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.

License note: 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/

License note: 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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Data verified:

Content is reviewed against latest scientific data.