data_global
_chemical_name_mineral 'Bikitaite'
loop_
_publ_author_name
'Kocman V'
'Gait R I'
'Rucklidge J C'
_journal_name_full 'American Mineralogist'
_journal_volume 59 
_journal_year 1974
_journal_page_first 71
_journal_page_last 78
_publ_section_title
;
 The crystal structure of bikitaite, Li[AlSi2O6].H2O
;
_database_code_amcsd 0000394
_chemical_formula_sum 'Si2 Al Li O7 H2'
_cell_length_a 8.613
_cell_length_b 4.962
_cell_length_c 7.600
_cell_angle_alpha 90
_cell_angle_beta 114.45
_cell_angle_gamma 90
_cell_volume 295.679
_exptl_crystal_density_diffrn      2.293
_symmetry_space_group_name_H-M 'P 1 21 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Si1   0.10364   0.86463   0.09564   0.50000
Al1   0.10364   0.86463   0.09564   0.50000
Si2   0.10577   0.79994   0.50849   1.00000
Si3   0.38093   0.87443   0.93740   0.50000
Al3   0.38093   0.87443   0.93740   0.50000
Li   0.30409   0.36460   0.13412   1.00000
O1   0.26662   0.74342   0.05003   1.00000
O2   0.07630   0.69636  -0.03344   1.00000
O3   0.15760   0.82766   0.33043   1.00000
O4   0.05937   0.48682   0.52684   1.00000
O5   0.26459   0.89502   0.69869   1.00000
O6   0.55519   0.68878   0.97699   1.00000
Wat7   0.40402   0.32446   0.42167   1.00000
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
Si1 0.00819 0.00758 0.00994 0.00028 0.00517 0.00023
Al1 0.00819 0.00758 0.00994 0.00028 0.00517 0.00023
Si2 0.00791 0.00892 0.00868 -0.00071 0.00250 -0.00045
Si3 0.00545 0.00824 0.00871 -0.00004 0.00236 0.00016
Al3 0.00545 0.00824 0.00871 -0.00004 0.00236 0.00016
Li 0.02084 0.01192 0.03261 -0.00089 0.01355 0.00023
O1 0.01056 0.00980 0.01993 0.00026 0.00596 0.00078
O2 0.01439 0.01194 0.02401 0.00341 0.01066 0.00190
O3 0.02043 0.02836 0.01103 0.00053 0.00805 0.00273
O4 0.01448 0.00884 0.03761 -0.00091 0.01182 0.00217
O5 0.01510 0.02208 0.00798 -0.00337 -0.00137 -0.00035
O6 0.01062 0.01281 0.01760 -0.00014 0.00841 -0.00021
Wat7 0.02750 0.02901 0.04309 -0.00043 0.01058 0.00367