data_9003099
_chemical_name 'Bikitaite'
loop_
_publ_author_name
'Ferro O'
'Quartieri S'
'Vezzalini G'
'Ceriani C'
'Fois E'
'Gamba A'
'Cruciani G'
_journal_name_full "American Mineralogist"
_journal_volume 89
_journal_year 2004
_journal_page_first 94
_journal_page_last 101
_publ_section_title
;
 Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffract
 Sample: T = 30 C
;
_chemical_formula_sum 'Li Al Si2 O7 H2'
_cell_length_a 8.6121
_cell_length_b 4.9579
_cell_length_c 7.6040
_cell_angle_alpha 89.892
_cell_angle_beta 114.423
_cell_angle_gamma 89.955
_cell_volume 295.621
_symmetry_space_group_name_H-M 'P 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Li1   0.27000   0.39500   0.12800   0.05699
Li2   0.65900   0.87600   0.83100   0.05699
Al13   0.37300   0.89600   0.94200   0.03800
Al21   0.88000   0.39200   0.91000   0.03800
Si11   0.08600   0.87100   0.10000   0.04686
Si12   0.10380   0.80060   0.50490   0.04686
Si22   0.88500   0.32400   0.49100   0.04686
Si23   0.60700   0.38500   0.06800   0.04686
O11   0.25600   0.78700   0.06800   0.03926
O12   0.04900   0.18400   0.03500   0.03926
O13   0.15200   0.84800   0.32800   0.03926
O14   0.05500   0.49600   0.52600   0.03926
O15   0.26100   0.93300   0.69000   0.03926
O16   0.42300   0.22800   0.02000   0.03926
O21   0.71400   0.24000   0.95800   0.02913
O22   0.89900   0.73200   0.96300   0.02913
O23   0.82800   0.34500   0.66700   0.03926
O24   0.95300   0.02000   0.47500   0.03926
O25   0.73800   0.43200   0.29200   0.03926
O26   0.54300   0.67800   0.97300   0.02913
Wat17   0.41200   0.36600   0.41300   0.03800
Wat27   0.58300   0.84900   0.54100   0.03800