data_global
_chemical_name_mineral 'Chabazite-K'
loop_
_publ_author_name
'Gualtieri A F'
'Passaglia E'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 18 
_journal_year 2006
_journal_page_first 351
_journal_page_last 359
_publ_section_title
;
 Rietveld structure refinement of NH4-exchanged natural chabazite
;
_database_code_amcsd 0007149
_chemical_compound_source 'Wasson's Bluff, Two Islands, Nova Scotia, Canada'
_chemical_formula_sum 'Ca1.2 K.78 (Si8.52 Al3.48) O35.16 H22.32'
_cell_length_a 9.38749
_cell_length_b 9.38749
_cell_length_c 9.38749
_cell_angle_alpha 94.379
_cell_angle_beta 94.379
_cell_angle_gamma 94.379
_cell_volume 819.635
_exptl_crystal_density_diffrn      2.019
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-z,-y'
  '-z,-x,-y'
  'y,x,z'
  'y,z,x'
  '-z,-y,-x'
  '-x,-y,-z'
  'x,z,y'
  'z,x,y'
  '-y,-x,-z'
  '-y,-z,-x'
  'z,y,x'
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
CaC3   0.42240   0.42240   0.42240   0.21000   0.04200
CaC4   0.57870   0.57870   0.24410   0.13000   0.04100
KC2   0.22050   0.22050   0.22050   0.39000   0.05400
SiT   0.10380   0.33150   0.87580   0.71000   0.01400
AlT   0.10380   0.33150   0.87580   0.29000   0.01400
O1   0.26200  -0.26200   0.00000   1.00000   0.03600
O2   0.15270  -0.15270   0.50000   1.00000   0.02100
O3   0.25150   0.25150   0.89540   1.00000   0.01100
O4   0.01790   0.01790   0.30960   1.00000   0.04100
Wat1   0.50000   0.50000   0.00000   0.88000   0.08900
Wat2   0.24150   0.24150   0.59870   0.20000   0.03900
Wat3   0.20080   0.34100   0.49410   0.33000   0.03800
Wat4   0.36010  -0.36010   0.50000   0.24000   0.02900
Wat5   0.59000   0.59000   0.31600   0.17000   0.02700
Wat6a   0.30630   0.30630   0.30630   0.45000   0.05700