Halite
Finger L W, King H E
American Mineralogist 63 (1978) 337-342
A revised method of operation of the single-crystal diamond cell and refinement
of the structure of NaCl at 32 kbar
_database_code_amcsd 0000641
5.4533 5.4533 5.4533 90 90 90 Fm3m
atom x y z Biso
Na 0 0 0 1.46
Cl .5 .5 .5 1.18
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Halite
Walker D, Verma P K, Cranswick L M D, Jones R L, Clark S M, Buhre S
American Mineralogist 89 (2004) 204-210
Halite-sylvite thermoelasticity
Sample: msl416031, T = 25 C, P = 0.0 kbar, cell volume = 179.42 ang**3
_database_code_amcsd 0003397
5.6401 5.6401 5.6401 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
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Halite
Walker D, Verma P K, Cranswick L M D, Jones R L, Clark S M, Buhre S
American Mineralogist 89 (2004) 204-210
Halite-sylvite thermoelasticity
Sample: msl416032, T = 100 C, P = 0.0 kbar, cell volume = 180.65 ang**3
_database_code_amcsd 0003398
5.6530 5.6530 5.6530 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
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Halite
Walker D, Verma P K, Cranswick L M D, Jones R L, Clark S M, Buhre S
American Mineralogist 89 (2004) 204-210
Halite-sylvite thermoelasticity
Sample: msl416033, T = 200 C, P = 0.0 kbar, cell volume = 183.73 ang**3
_database_code_amcsd 0003399
5.6850 5.6850 5.6850 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
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Halite
Walker D, Verma P K, Cranswick L M D, Jones R L, Clark S M, Buhre S
American Mineralogist 89 (2004) 204-210
Halite-sylvite thermoelasticity
Sample: msl416034, T = 300 C, P = 0.0 kbar, cell volume = 185.89 ang**3
_database_code_amcsd 0003400
5.7071 5.7071 5.7071 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
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Halite
Walker D, Verma P K, Cranswick L M D, Jones R L, Clark S M, Buhre S
American Mineralogist 89 (2004) 204-210
Halite-sylvite thermoelasticity
Sample: msl416035, T = 400 C, P = 0.0 kbar, cell volume = 188.33 ang**3
_database_code_amcsd 0003401
5.7320 5.7320 5.7320 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
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Halite
Walker D, Verma P K, Cranswick L M D, Jones R L, Clark S M, Buhre S
American Mineralogist 89 (2004) 204-210
Halite-sylvite thermoelasticity
Sample: msl416036, T = 500 C, P = 0.0 kbar, cell volume = 191.42 ang**3
_database_code_amcsd 0003402
5.7632 5.7632 5.7632 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Halite
Walker D, Verma P K, Cranswick L M D, Jones R L, Clark S M, Buhre S
American Mineralogist 89 (2004) 204-210
Halite-sylvite thermoelasticity
Sample: msl416037, T = 600 C, P = 0.0 kbar, cell volume = 194.26 ang**3
_database_code_amcsd 0003403
5.7915 5.7915 5.7915 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
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Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 50 K, Molar volume = 26.35 cc/mol
_database_code_amcsd 0007951
5.5937 5.5937 5.5937 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
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Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 100 K, Molar volume = 26.42 cc/mol
_database_code_amcsd 0007952
5.5986 5.5986 5.5986 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
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Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 150 K, Molar volume = 26.54 cc/mol
_database_code_amcsd 0007953
5.6071 5.6071 5.6071 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
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Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 200 K, Molar volume = 26.67 cc/mol
_database_code_amcsd 0007954
5.6162 5.6162 5.6162 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
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Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 250 K, Molar volume = 26.82 cc/mol
_database_code_amcsd 0007955
5.6267 5.6267 5.6267 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
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Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 300 K, Molar volume = 26.98 cc/mol
_database_code_amcsd 0007956
5.6379 5.6379 5.6379 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
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Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 350 K, Molar volume = 27.15 cc/mol
_database_code_amcsd 0007957
5.6497 5.6497 5.6497 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
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Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 400 K, Molar volume = 27.33 cc/mol
_database_code_amcsd 0007958
5.6622 5.6622 5.6622 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
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Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 450 K, Molar volume = 27.51 cc/mol
_database_code_amcsd 0007959
5.6746 5.6746 5.6746 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
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Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 500 K, Molar volume = 27.69 cc/mol
_database_code_amcsd 0007960
5.6869 5.6869 5.6869 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
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Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 550 K, Molar volume = 27.88 cc/mol
_database_code_amcsd 0007961
5.6999 5.6999 5.6999 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 600 K, Molar volume = 28.08 cc/mol
_database_code_amcsd 0007962
5.7135 5.7135 5.7135 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 650 K, Molar volume = 28.29 cc/mol
_database_code_amcsd 0007963
5.7277 5.7277 5.7277 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 700 K, Molar volume = 28.51 cc/mol
_database_code_amcsd 0007964
5.7425 5.7425 5.7425 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
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Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 750 K, Molar volume = 28.74 cc/mol
_database_code_amcsd 0007965
5.7579 5.7579 5.7579 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 800 K, Molar volume = 28.98 cc/mol
_database_code_amcsd 0007966
5.7739 5.7739 5.7739 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 850 K, Molar volume = 29.23 cc/mol
_database_code_amcsd 0007967
5.7904 5.7904 5.7904 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 900 K, Molar volume = 29.49 cc/mol
_database_code_amcsd 0007968
5.8076 5.8076 5.8076 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 950 K, Molar volume = 29.77 cc/mol
_database_code_amcsd 0007969
5.8259 5.8259 5.8259 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Halite
Wang K, Reeber R R
Physics and Chemistry of Minerals 23 (1996) 354-360
Thermal expansion of alkali halides at high pressure: NaCl as an example
Sample: T = 100 K, Molar volume = 30.06 cc/mol
_database_code_amcsd 0007970
5.8447 5.8447 5.8447 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Halite
Abrahams S, Bernstein J
Acta Crystallographica 18 (1965) 926-932
Accuracy of an automatic diffractometer. Measurement of the sodium
chloride structure factors
_cod_database_code 1000041
_database_code_amcsd 0009295
5.62 5.62 5.62 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Halite
Wyckoff R W G
Crystal Structures 1 (1963) 85-237
Second edition. Interscience Publishers, New York, New York
rocksalt structure
_database_code_amcsd 0011356
5.64056 5.64056 5.64056 90 90 90 Fm3m
atom x y z
Na 0 0 0
Cl .5 .5 .5
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
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