data_global
_chemical_name_mineral 'Ferriannite-(Cs)'
loop_
_publ_author_name
'Mellini M'
'Weiss Z'
'Rieder M'
'Drabek M'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 8 
_journal_year 1996
_journal_page_first 1265
_journal_page_last 1271
_publ_section_title
;
 Cs-ferriannite as a possible host for waste cesium: crystal
 structure and synthesis
;
_database_code_amcsd 0006633
_chemical_formula_sum 'Cs.968 Fe3.824 Si3.124 O12 H2'
_cell_length_a 5.487
_cell_length_b 9.506
_cell_length_c 10.826
_cell_angle_alpha 90
_cell_angle_beta 99.83
_cell_angle_gamma 90
_cell_volume 556.388
_exptl_crystal_density_diffrn      3.724
_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
Cs   0.00000   0.50000   0.00000   0.96800
FeM1   0.00000   0.00000   0.50000   0.98400
FeM2   0.00000   0.33220   0.50000   0.98200
SiT   0.07940   0.16660   0.23820   0.78100
FeT   0.07940   0.16660   0.23820   0.21900
O1   0.05950   0.00000   0.18330   1.00000
O2   0.31200   0.24950   0.18470   1.00000
O3   0.13400   0.16670   0.39710   1.00000
O4   0.13270   0.50000   0.40090   1.00000
H   0.08900   0.50000   0.31400   1.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cs 0.02170 0.02050 0.01850 0.00000 0.00230 0.00000
FeM1 0.00670 0.00480 0.01280 0.00000 0.00250 0.00000
FeM2 0.00680 0.00480 0.01310 0.00000 0.00120 0.00000
SiT 0.00910 0.00820 0.01090 -0.00020 0.00200 0.00090
FeT 0.00910 0.00820 0.01090 -0.00020 0.00200 0.00090
O1 0.04200 0.03200 0.02800 0.00000 0.00020 0.00000
O2 0.03700 0.04200 0.02500 -0.00100 0.00600 -0.00600
O3 0.00900 0.00800 0.01300 0.00000 0.00200 0.00000
O4 0.01000 0.00700 0.01700 0.00000 0.00100 0.00000