data_global
_chemical_name_mineral 'Erionite-K'
loop_
_publ_author_name
'Ballirano P'
'Andreozzi G B'
'Dogan M'
'Dogan A U'
_journal_name_full 'American Mineralogist'
_journal_volume 94 
_journal_year 2009
_journal_page_first 1262
_journal_page_last 1270
_publ_section_title
;
 Crystal structure and iron topochemistry of
 erionite-K from Rome, Oregon, U.S.A.
;
_database_code_amcsd 0004973
_chemical_compound_source 'Rome, Oregon, USA'
_chemical_formula_sum 'K1.381 Na1.254 Ca.54 Mg1.116 Mn.012 (Al3.378 Si14.622) O53.466 H34.932'
_cell_length_a 13.22794
_cell_length_b 13.22794
_cell_length_c 15.06946
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 2283.562
_exptl_crystal_density_diffrn      2.217
_symmetry_space_group_name_H-M 'P 63/m m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
  'x-y,-y,-z'
  '-x,-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
K1   0.00000   0.00000   0.25000   0.97600   0.02860
NaB   0.30650   0.61300   0.09020   0.20900   0.20200
CaB   0.30650   0.61300   0.09020   0.09000   0.20200
MgA   0.30800   0.61700   0.87200   0.09300   0.20200
MnB   0.30650   0.61300   0.09020   0.00200   0.20200
Al1   0.23397  -0.00016   0.10440   0.14300   0.00540
Si1   0.23397  -0.00016   0.10440   0.85700   0.00540
Si2   0.09314   0.42355   0.25000   0.72300   0.00910
Al2   0.09314   0.42355   0.25000   0.27700   0.00910
O1   0.34747   0.02431   0.66096   1.00000   0.01220
O2   0.09799   0.19600   0.12546   1.00000   0.01080
O3   0.12540   0.25080   0.63350   1.00000   0.02420
O4   0.26678   0.00000   0.00000   1.00000   0.01250
O5   0.23430   0.46860   0.25000   1.00000   0.03180
O6   0.45910   0.91820   0.25000   1.00000   0.03390
K2   0.50000   0.00000   0.00000   0.13500   0.02860
Wat1   0.22990   0.45970   0.75000   0.74400   0.08000
Wat2   0.26350   0.52690  -0.03880   0.27900   0.18200
Wat3   0.43170   0.86330   0.92100   0.37700   0.18200
Wat4   0.43520   0.87040   0.66260   0.45800   0.18200
Wat5   0.26670   0.53300   0.68100   0.36600   0.18200
Wat6   0.44350   0.88710   0.01430   0.69300   0.18200