data_global
_chemical_name_mineral 'Tetra-ferri-annite'
loop_
_publ_author_name
'Comodi P'
'Zanazzi P F'
'Weiss Z'
'Rieder M'
'Drabek M'
_journal_name_full 'American Mineralogist'
_journal_volume 84 
_journal_year 1999
_journal_page_first 325
_journal_page_last 332
_publ_section_title
;
 "Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
 potential nuclear waste disposal phase
 T = 23 deg C, crystal 2
;
_database_code_amcsd 0002204
_chemical_formula_sum 'Cs.89 Fe3.92 Si3.04 Al.04 O12'
_cell_length_a 5.480
_cell_length_b 9.498
_cell_length_c 10.820
_cell_angle_alpha 90
_cell_angle_beta 99.76
_cell_angle_gamma 90
_cell_volume 555.020
_exptl_crystal_density_diffrn      3.684
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cs   0.00000   0.50000   0.00000   0.89000   0.02090
Fe1   0.00000   0.00000   0.50000   1.00000   0.00880
Fe2   0.00000   0.33192   0.50000   1.00000   0.00900
Si   0.07960   0.16662   0.23820   0.76000   0.00990
Fe   0.07960   0.16662   0.23820   0.23000   0.00990
Al   0.07960   0.16662   0.23820   0.01000   0.00990
O1   0.06100   0.00000   0.18380   1.00000   0.02720
O2   0.31190   0.25010   0.18440   1.00000   0.02870
O3   0.13260   0.16620   0.39620   1.00000   0.01180
O4   0.13250   0.50000   0.40150   1.00000   0.01150