data_global
_chemical_name_mineral 'Erionite-Ca'
loop_
_publ_author_name
'Gualtieri A'
'Artioli G'
'Passaglia E'
'Bigi S'
'Viani A'
'Hanson J C'
_journal_name_full 'American Mineralogist'
_journal_volume 83 
_journal_year 1998
_journal_page_first 590
_journal_page_last 606
_publ_section_title
;
 Crystal structure-crystal chemistry relationships in the zeolites erionite
 and offretite
 Sample from Agate Beach
;
_database_code_amcsd 0002004
_chemical_formula_sum '(Si13.89 Al4.11) Ca1.36 Mg.4 K.87 O53.58 H35.16'
_cell_length_a 13.289
_cell_length_b 13.289
_cell_length_c 15.079
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 2306.151
_exptl_crystal_density_diffrn      2.149
_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
Si1  -0.00050   0.23320   0.10150   0.83000   0.03100
Al1  -0.00050   0.23320   0.10150   0.17000   0.03100
Si2   0.08970   0.42490   0.25000   0.65500   0.04600
Al2   0.08970   0.42490   0.25000   0.34500   0.04600
Ca1   0.33333   0.66667   0.11370   0.30000   0.08500
Ca2   0.33333   0.66667   0.90470   0.22000   0.07900
Ca3   0.66667   0.33333   0.17700   0.16000   0.02000
Mg   0.66667   0.33333   0.04900   0.20000   0.01800
K   0.00000   0.00000   0.25000   0.87000   0.01700
O1   0.01750   0.33050   0.67520   1.00000   0.05700
O2   0.09150   0.18300   0.11760   1.00000   0.06400
O3   0.11010   0.22020   0.63710   1.00000   0.06200
O4   0.26930   0.00000   0.00000   1.00000   0.01900
O5   0.23290   0.46580   0.25000   1.00000   0.08800
O6   0.03650   0.51820   0.25000   1.00000   0.05200
Wat1   0.24500   0.49000   0.10600   0.33000   0.16200
Wat2b   0.26580   0.53160   0.70090   0.86000   0.13500
Wat3   0.42200   0.84400   0.89700   0.90000   0.10700
Wat3b   0.46900  -0.60200   0.07300   0.30000   0.10700
Wat3c   0.44100   0.88200   0.78900   0.24000   0.10700