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 Shourdo
;
_database_code_amcsd 0002002
_chemical_formula_sum '(Si14.046 Al3.954) Ca1.22 Mg.26 K O49.2 H26.4'
_cell_length_a 13.264
_cell_length_b 13.264
_cell_length_c 15.067
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 2295.654
_exptl_crystal_density_diffrn      2.039
_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   0.00060   0.23290   0.10520   0.82300   0.03600
Al1   0.00060   0.23290   0.10520   0.17700   0.03600
Si2   0.09260   0.42260   0.25000   0.69500   0.03100
Al2   0.09260   0.42260   0.25000   0.30500   0.03100
Ca1   0.33333   0.66667   0.10400   0.15000   0.07700
Ca2   0.33333   0.66667   0.88700   0.12000   0.06900
Ca3   0.66667   0.33333   0.20100   0.13000   0.03200
Ca4   0.50000   0.00000   0.00000   0.14000   0.06500
Mg   0.66667   0.33333   0.07300   0.13000   0.10300
K   0.00000   0.00000   0.25000   1.00000   0.03800
O1   0.02510   0.34730   0.66090   1.00000   0.04500
O2   0.09730   0.19460   0.12610   1.00000   0.01900
O3   0.12630   0.25260   0.63200   1.00000   0.02400
O4   0.26800   0.00000   0.00000   1.00000   0.03800
O5   0.23100   0.46200   0.25000   1.00000   0.04300
O6   0.09700   0.54850   0.25000   1.00000   0.07000
Wat1   0.26600   0.53200   0.00800   0.29000   0.08600
Wat2   0.23500   0.47000   0.71800   0.36000   0.12800
Wat2b   0.26000   0.52200   0.69400   0.18000   0.12800
Wat3   0.43100   0.86200   0.90300   0.61000   0.13800
Wat3b   0.46200  -0.07400   0.02900   0.22000   0.13800
Wat3c   0.46500   0.93000   0.77900   0.14000   0.13800