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 Lady Hill
;
_database_code_amcsd 0002001
_chemical_formula_sum '(Si14.34 Al3.66) Ca2 K O50.85 H29.7'
_cell_length_a 13.339
_cell_length_b 13.339
_cell_length_c 15.112
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 2328.623
_exptl_crystal_density_diffrn      2.088
_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   0.00120   0.23080   0.10580   0.93900   0.02700
Al1   0.00120   0.23080   0.10580   0.06100   0.02700
Si2   0.08710   0.41900   0.25000   0.51200   0.01500
Al2   0.08710   0.41900   0.25000   0.48800   0.01500
Ca1   0.33333   0.66667   0.11800   0.40000   0.09100
Ca2   0.33333   0.66667   0.94200   0.47000   0.08200
Ca3   0.66667   0.33333   0.22100   0.07000   0.04100
Ca4   0.50000   0.00000   0.00000   0.04000   0.09100
K   0.00000   0.00000   0.25000   1.00000   0.05100
O1   0.02950   0.34430   0.15840   1.00000   0.04400
O2   0.09910   0.19820   0.12850   1.00000   0.05200
O3   0.12660   0.25320   0.62840   1.00000   0.04400
O4   0.26450   0.00000   0.00000   1.00000   0.05100
O5   0.23140   0.46280   0.25000   1.00000   0.03300
O6   0.11050   0.55520   0.25000   1.00000   0.03500
Wat1   0.27050   0.54100  -0.06000   0.39000   0.06700
Wat1b   0.24390   0.48780   0.01540   0.46000   0.06700
Wat2   0.20500   0.41000   0.75000   0.31000   0.04800
Wat2b   0.25400   0.50800   0.69100   0.29000   0.04800
Wat3   0.44140   0.88280   0.91410   0.62000   0.04700
Wat3b   0.47000  -0.06000   0.02700   0.38000   0.04700
Wat3c   0.42050   0.84100   0.65860   0.18000   0.04700