data_9002425
_chemical_name 'TlAlSiO4'
loop_
_publ_author_name
'Kyono A'
'Kimata M'
'Shimizu M'
_journal_name_full "American Mineralogist"
_journal_volume 85
_journal_year 2000
_journal_page_first 1287
_journal_page_last 1293
_publ_section_title
;
 The crystal structure of TlAlSiO4: The role of inert pairs in exclusion
 of Tl from silicate minerals
;
_chemical_formula_sum 'Tl Si Al O4'
_cell_length_a 5.4095
_cell_length_b 9.4232
_cell_length_c 8.2629
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90.01
_cell_volume 421.200
_symmetry_space_group_name_H-M 'P 1 1 21/n'
loop_
_symmetry_equiv_pos_as_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
Tl   0.75020   0.18910   0.49730
Si   0.25030   0.07650   0.20520
Al   0.24900   0.41680   0.30820
O1   0.25000   0.06570   0.01400
O2   0.24470   0.23790   0.26390
O3   0.00660   0.99820   0.27880
O4   0.49320  -0.00120   0.28240