data_global
_chemical_name_mineral 'Tetraferriannite'
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 = .001 kbar, crystal 1
;
_database_code_amcsd 0002208
_chemical_formula_sum 'Cs.89 Fe3.92 Si3.04 Al.04 O12'
_cell_length_a 5.486
_cell_length_b 9.506
_cell_length_c 10.818
_cell_angle_alpha 90
_cell_angle_beta 99.67
_cell_angle_gamma 90
_cell_volume 556.142
_exptl_crystal_density_diffrn      3.676
_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   0.02200
Fe1   0.00000   0.00000   0.50000   1.00000   0.01100
Fe2   0.00000   0.33230   0.50000   1.00000   0.00900
Si   0.07970   0.16660   0.23840   0.76000   0.01100
Fe   0.07970   0.16660   0.23840   0.23000   0.01100
Al   0.07970   0.16660   0.23840   0.01000   0.01100
O1   0.05880   0.00000   0.18360   1.00000   0.02000
O2   0.31170   0.24960   0.18240   1.00000   0.02000
O3   0.13250   0.16640   0.39580   1.00000   0.01200
O4   0.13220   0.50000   0.40180   1.00000   0.01000