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, P = 39.4 kbar, crystal 1
;
_database_code_amcsd 0002203
_chemical_formula_sum 'Cs.89 Fe3.92 Si3.04 Al.04 O12'
_cell_length_a 5.444
_cell_length_b 9.439
_cell_length_c 10.185
_cell_angle_alpha 90
_cell_angle_beta 100.2
_cell_angle_gamma 90
_cell_volume 515.094
_exptl_crystal_density_diffrn      3.969
_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   0.01600
Fe1   0.00000   0.00000   0.50000   1.00000   0.01000
Fe2   0.00000   0.33270   0.50000   1.00000   0.00900
Si   0.07530   0.16660   0.22520   0.76000   0.01200
Fe   0.07530   0.16660   0.22520   0.23000   0.01200
Al   0.07530   0.16660   0.22520   0.01000   0.01200
O1   0.06100   0.00000   0.17300   1.00000   0.03000
O2   0.30600   0.24900   0.16900   1.00000   0.03000
O3   0.13100   0.16700   0.39400   1.00000   0.01000
O4   0.13100   0.50000   0.39200   1.00000   0.01000