Anatase
Howard C J, Sabine T M, Dickson F
Acta Crystallographica B47 (1991) 462-468
Structural and thermal parameters for rutile and anatase
Locality: synthetic
_database_code_amcsd 0019093
3.7845 3.7845 9.5143 90 90 90 I4_1/amd
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ti 0 0 0 .0052 0 0 .0052 0 .0070
O 0 0 .20806 .0117 0 0 .0027 0 .0072
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Anatase
Parker R
Zeitschrift fur Kristallographie 59 (1924) 1-54
Zur Kristallstruktur von Anastas und Rutil. (II. Teil. Die
Anastasstruktur).
_cod_database_code 1010942
_database_code_amcsd 0017663
3.73 3.73 9.37 90 90 90 I4_1/amd
atom x y z
Ti1 0 0 0
O1 0 0 .2
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Anatase
Horn M, Schwerdtfeger C F, Meagher E P
Zeitschrift fur Kristallographie 136 (1972) 273-281
Refinement of the structure of anatase at several temperatures
Sample: T = 25 C
Locality: Lengenbach quarry, Binnatal, Switzerland
_database_code_amcsd 0010735
3.7842 3.7842 9.5146 90 90 90 I4_1/amd
atom x y z Biso
Ti 0 0 0 .390
O 0 0 .2081 .613
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Anatase
Horn M, Schwerdtfeger C F, Meagher E P
Zeitschrift fur Kristallographie 136 (1972) 273-281
Refinement of the structure of anatase at several temperatures
Sample: T = 300 C
Locality: Lengenbach quarry, Binnatal, Switzerland
_database_code_amcsd 0010736
3.7892 3.7892 9.537 90 90 90 I4_1/amd
atom x y z Biso
Ti 0 0 0 .636
O 0 0 .2079 .951
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Anatase
Horn M, Schwerdtfeger C F, Meagher E P
Zeitschrift fur Kristallographie 136 (1972) 273-281
Refinement of the structure of anatase at several temperatures
Sample: T = 600 C
Locality: Lengenbach quarry, Binnatal, Switzerland
_database_code_amcsd 0010737
3.7971 3.7971 9.579 90 90 90 I4_1/amd
atom x y z Biso
Ti 0 0 0 1.030
O 0 0 .2078 1.483
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Anatase
Horn M, Schwerdtfeger C F, Meagher E P
Zeitschrift fur Kristallographie 136 (1972) 273-281
Refinement of the structure of anatase at several temperatures
Sample: T = 800 C
Locality: Lengenbach quarry, Binnatal, Switzerland
_database_code_amcsd 0010738
3.8040 3.8040 9.614 90 90 90 I4_1/amd
atom x y z Biso
Ti 0 0 0 1.323
O 0 0 .2076 1.870
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Anatase
Wyckoff R W G
Crystal Structures 1 (1963) 239-444
Second edition. Interscience Publishers, New York, New York
_database_code_amcsd 0011765
3.785 3.785 9.514 90 90 90 I4_1/amd
atom x y z
Ti 0 0 0
O 0 0 .2066
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