data_global
_chemical_name_mineral 'Zussmanite'
loop_
_publ_author_name
'Lopes-Vieira A'
'Zussman J'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 37 
_journal_year 1969
_journal_page_first 49
_journal_page_last 60
_publ_section_title
;
 Further detail on the crystal structure of zussmanite
;
_database_code_amcsd 0014450
_chemical_compound_source 'Laytonville district, Mendocino County, California'
_chemical_formula_sum 'K.92 Na.07 (Fe10.92 Mg2.08) Si17 Al O56 H14'
_cell_length_a 11.66
_cell_length_b 11.66
_cell_length_c 28.69
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 3377.989
_exptl_crystal_density_diffrn      3.115
_symmetry_space_group_name_H-M 'R -3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-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
K   0.33333   0.66667   0.16667   0.92000   0.01490
Na   0.33333   0.66667   0.16667   0.07000   0.01490
Fe1   0.00000   0.00000   0.00000   0.84000   0.01260
Mg1   0.00000   0.00000   0.00000   0.16000   0.01260
Fe2   0.22940  -0.07610  -0.00090   0.84000   0.00680
Mg2   0.22940  -0.07610  -0.00090   0.16000   0.00680
Fe3   0.38400   0.53870   0.00350   0.84000   0.00600
Mg3   0.38400   0.53870   0.00350   0.16000   0.00600
Si1   0.25700   0.37300   0.09320   1.00000   0.00450
Si2   0.40980  -0.04030   0.09350   1.00000   0.00490
Si3   0.52460   0.17970   0.16700   0.83333   0.00510
Al   0.52460   0.17970   0.16700   0.16667   0.00510
O1   0.41110  -0.02530   0.03750   1.00000   0.01030
O2   0.25790   0.35980   0.03810   1.00000   0.01080
O3   0.26610  -0.15670   0.11110   1.00000   0.01270
O4   0.40080   0.48930   0.11140   1.00000   0.00990
O5   0.22220   0.23680   0.11860   1.00000   0.01180
O6   0.44520   0.09510   0.11920   1.00000   0.01300
O7   0.53000   0.32280   0.16640   1.00000   0.00970
O-H1   0.33333   0.66667   0.03320   1.00000   0.01410
O-H2   0.17760   0.05100   0.03520   1.00000   0.01670
O-H3   0.48260   0.28130   0.03670   1.00000   0.01240