data_global
_chemical_name_mineral 'Gibbsite'
loop_
_publ_author_name
'Saalfeld H'
'Wedde M'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 139 
_journal_year 1974
_journal_page_first 129
_journal_page_last 135
_publ_section_title
;
 Refinement of the crystal structure of gibbsite, Al(OH)3
;
_database_code_amcsd 0010761
_chemical_compound_source 'Langesundfjord, Norway'
_chemical_formula_sum 'Al O3 H3'
_cell_length_a 8.684
_cell_length_b 5.078
_cell_length_c 9.736
_cell_angle_alpha 90
_cell_angle_beta 94.54
_cell_angle_gamma 90
_cell_volume 427.985
_exptl_crystal_density_diffrn      2.421
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Al1   0.16790   0.52950  -0.00230 ?
Al2   0.33440   0.02360  -0.00240 ?
O1   0.17790   0.21830  -0.11150 ?
O2   0.66920   0.65580  -0.10230 ?
O3   0.49840   0.13150  -0.10440 ?
O4  -0.02050   0.62930  -0.10680 ?
O5   0.29710   0.71780  -0.10520 ?
O6   0.81940   0.14910  -0.10150 ?
H1   0.10100   0.15200  -0.12400   0.01267
H2   0.59500   0.57300  -0.09800   0.01267
H3   0.50300   0.13700  -0.19000   0.01267
H4  -0.02900   0.80100  -0.10700 ?
H5   0.29300   0.72400  -0.19600   0.02533
H6   0.81500   0.16000  -0.19000   0.01267
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Al1 0.00456 0.00614 0.01098 -0.00022 0.00213 0.00050
Al2 0.00456 0.00627 0.01098 0.00022 0.00170 0.00000
O1 0.00494 0.01084 0.01384 -0.00178 -0.00043 -0.00075
O2 0.00456 0.01163 0.01384 -0.00178 0.00000 -0.00075
O3 0.00683 0.01123 0.01145 0.00000 0.00085 0.00125
O4 0.00569 0.01032 0.01432 -0.00067 0.00085 0.00125
O5 0.00835 0.01110 0.01145 -0.00089 0.00213 -0.00025
O6 0.00721 0.01071 0.01098 -0.00045 0.00085 -0.00050