American Mineralogist Crystal Structure Database

3 matching records for this search.

Gibbsite
Download hom/gibbsite.pdf
Balan E, Lazzeri M, Morin G, Mauri F
Download am/vol91/AM91_115.pdf
American Mineralogist 91 (2006) 115-119
First-principles study of the OH-stretching modes of gibbsite
Locality: hypothetical structure calculated with DFT
_database_code_amcsd 0003998
8.742 5.112 9.801 90 94.54 90 P2_1/n
atom     x    y     z
Al1   .168 .531 -.003
Al2   .336 .025 -.003
O1    .174 .219 -.112
O2    .669 .655 -.103
O3    .498 .133 -.106
O4   -.020 .632 -.108
O5    .303 .716 -.105
O6    .822 .146 -.102
H1    .072 .138 -.123
H2    .574 .551 -.102
H3    .494 .108 -.207
H4   -.049 .817 -.113
H5    .300 .718 -.206
H6    .807 .162 -.203
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View JMOL 3-D Structure (permalink)
 
Gibbsite
Download hom/gibbsite.pdf
Megaw H
 
Zeitschrift fur Kristallographie 87 (1934) 185-204
The crystal structure of Hydrargillite Al (O H)3
_cod_database_code 1011081
_database_code_amcsd 0017978
8.641 5.070 9.720 90 85.43 90 P2_1/n
atom     x    y     z
Al1   .177  .52 -.005
Al2   .333  .02 -.005
O1    .182 .202  -.11
O2    .682 .672  -.11
O3    .515 .132  -.11
O4   -.015 .632  -.11
O5    .298 .702   -.1
O6    .838 .172   -.1
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gibbsite
Download hom/gibbsite.pdf
Saalfeld H, Wedde M
Download zk/vol139/ZK139_129.pdf
Zeitschrift fur Kristallographie 139 (1974) 129-135
Refinement of the crystal structure of gibbsite, Al(OH)3
Locality: Langesundfjord, Norway
_database_code_amcsd 0010761
8.684 5.078 9.736 90 94.54 90 P2_1/n
atom      x     y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Al1   .1679 .5295 -.0023       .0012  .0047  .0023 -.0001  .0005  .0002
Al2   .3344 .0236 -.0024       .0012  .0048  .0023  .0001  .0004  .0000
O1    .1779 .2183 -.1115       .0013  .0083  .0029 -.0008 -.0001 -.0003
O2    .6692 .6558 -.1023       .0012  .0089  .0029 -.0008  .0000 -.0003
O3    .4984 .1315 -.1044       .0018  .0086  .0024  .0000  .0002  .0005
O4   -.0205 .6293 -.1068       .0015  .0079  .0030 -.0003  .0002  .0005
O5    .2971 .7178 -.1052       .0022  .0085  .0024 -.0004  .0005 -.0001
O6    .8194 .1491 -.1015       .0019  .0082  .0023 -.0002  .0002 -.0002
H1     .101  .152  -.124   1.
H2     .595  .573  -.098   1.
H3     .503  .137  -.190   1.
H4    -.029  .801  -.107   0.
H5     .293  .724  -.196   2.
H6     .815  .160  -.190   1.
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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Total number of retrieved datasets: 3
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