Bohmite
Wyckoff R W G
Crystal Structures 1 (1963) 290-295
Second edition. Interscience Publishers, New York, New York
_database_code_amcsd 0011834
12.227 3.700 2.866 90 90 90 Bbmm
atom x y z
Al -.166 .25 0
O .213 .25 0
OH .433 .25 0
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Bohmite
Christensen A N, Lehmann M S, Convert P
Acta Chemica Scandinavica A 36 (1982) 303-308
Deuteration of crystalline hydroxides.
Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D)
Locality: synthetic
_database_code_amcsd 0020685
2.876 12.24 3.709 90 90 90 Cmcm
atom x y z Biso
Al 0 -.3172 .25 .14
O1 0 .2902 .25 .14
O2 0 .0820 .25 .14
H .5 .5186 .3924 .14
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Bohmite
Christensen A N, Lehmann M S, Convert P
Acta Chemica Scandinavica A 36 (1982) 303-308
Deuteration of crystalline hydroxides.
Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D)
Locality: synthetic
_database_code_amcsd 0020686
2.876 12.24 3.709 90 90 90 Cmc2_1
atom x y z Biso
Al 0 -.3166 .25 .16
O1 0 .2901 .2313 .16
O2 0 .0818 .2344 .16
H .5 .5202 .3804 .16
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Bohmite
Hill R J
Clays and Clay Minerals 29 (1981) 435-445
Hydrogen atoms in boehmite: A single crystal X-ray diffraction and
molecular orbital study
Locality: Tveidalen, Langesundsfjorden, Norway
_database_code_amcsd 0019146
3.693 12.221 2.865 90 90 90 Amam
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al .25 -.3178 .0 .0032 .0043 .0047 0 0 0
O1 .25 .2897 .0 .0027 .0062 .0066 0 0 0
O2 .25 .0809 .0 .0064 .0055 .0047 0 0 0
H .396 .038 .0 .04 .5
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Bohmite
Bokhimi X, Toledo-Antonio J A, Guzman-Castillo M L, Hernandez-Beltran F
Journal of Solid State Chemistry 159 (2001) 32-40
Relationship between crystallite size and bond lengths in boehmite
Locality: synthetic
Sample: preparation T = 23 C
_database_code_amcsd 0013997
2.851 12.12 3.736 90 90 90 Cmcm
atom x y z
Al 0 -.3239 .25
O1 0 .3100 .25
OH2 0 .0841 .25
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Bohmite
Bokhimi X, Toledo-Antonio J A, Guzman-Castillo M L, Hernandez-Beltran F
Journal of Solid State Chemistry 159 (2001) 32-40
Relationship between crystallite size and bond lengths in boehmite
Locality: synthetic
Sample: preparation T = 30 C
_database_code_amcsd 0013998
2.8796 12.205 3.761 90 90 90 Cmcm
atom x y z
Al 0 -.3238 .25
O1 0 .3104 .25
OH2 0 .0843 .25
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Bohmite
Bokhimi X, Toledo-Antonio J A, Guzman-Castillo M L, Hernandez-Beltran F
Journal of Solid State Chemistry 159 (2001) 32-40
Relationship between crystallite size and bond lengths in boehmite
Locality: synthetic
Sample: preparation T = 50 C
_database_code_amcsd 0013999
2.8675 12.274 3.733 90 90 90 Cmcm
atom x y z
Al 0 -.3247 .25
O1 0 .3043 .25
OH2 0 .0860 .25
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Bohmite
Bokhimi X, Toledo-Antonio J A, Guzman-Castillo M L, Hernandez-Beltran F
Journal of Solid State Chemistry 159 (2001) 32-40
Relationship between crystallite size and bond lengths in boehmite
Locality: synthetic
Sample: preparation T = 100 C
_database_code_amcsd 0014000
2.8686 12.265 3.715 90 90 90 Cmcm
atom x y z
Al 0 -.3227 .25
O1 0 .2982 .25
OH2 0 .0856 .25
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Bohmite
Bokhimi X, Toledo-Antonio J A, Guzman-Castillo M L, Hernandez-Beltran F
Journal of Solid State Chemistry 159 (2001) 32-40
Relationship between crystallite size and bond lengths in boehmite
Locality: synthetic
Sample: preparation T = 140 C
_database_code_amcsd 0014001
2.8695 12.232 3.6945 90 90 90 Cmcm
atom x y z
Al 0 -.3192 .25
O1 0 .2927 .25
OH2 0 .0780 .25
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Bohmite
Bokhimi X, Toledo-Antonio J A, Guzman-Castillo M L, Hernandez-Beltran F
Journal of Solid State Chemistry 159 (2001) 32-40
Relationship between crystallite size and bond lengths in boehmite
Locality: synthetic
Sample: preparation T = 180 C
_database_code_amcsd 0014002
2.8681 12.2256 3.6941 90 90 90 Cmcm
atom x y z
Al 0 -.3182 .25
O1 0 .2907 .25
OH2 0 .0797 .25
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Bohmite
Bokhimi X, Toledo-Antonio J A, Guzman-Castillo M L, Hernandez-Beltran F
Journal of Solid State Chemistry 159 (2001) 32-40
Relationship between crystallite size and bond lengths in boehmite
Locality: synthetic
Sample: preparation T = 240 C
_database_code_amcsd 0014003
2.8678 12.2188 3.6941 90 90 90 Cmcm
atom x y z
Al 0 -.3180 .25
O1 0 .2905 .25
OH2 0 .0795 .25
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Bohmite
Bokhimi X, Sanchez-Valente J, Pedraza F
Journal of Solid State Chemistry 166 (2002) 182-190
Crystallization of sol-gel boehmite via hydrothermal annealing
Locality: synthetic
Sample: annealed t = 3 days, T = 473 K
_database_code_amcsd 0014025
2.8656 12.226 3.6886 90 90 90 Cmcm
atom x y z
Al 0 -.3172 .25
O1 0 .2902 .25
OH2 0 .0787 .25
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Bohmite
Bokhimi X, Sanchez-Valente J, Pedraza F
Journal of Solid State Chemistry 166 (2002) 182-190
Crystallization of sol-gel boehmite via hydrothermal annealing
Locality: synthetic
Sample: annealed t = 7 days, T = 473 K
_database_code_amcsd 0014026
2.86676 12.223 3.6907 90 90 90 Cmcm
atom x y z
Al 0 -.3176 .25
O1 0 .2902 .25
OH2 0 .0778 .25
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Bohmite
Bokhimi X, Sanchez-Valente J, Pedraza F
Journal of Solid State Chemistry 166 (2002) 182-190
Crystallization of sol-gel boehmite via hydrothermal annealing
Locality: synthetic
Sample: annealed t = 15 days, T = 473 K
_database_code_amcsd 0014027
2.8668 12.2189 3.6922 90. 90. 90 Cmcm
atom x y z
Al 0 -.3176 .25
O1 0 .2902 .25
OH2 0 .0780 .25
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