data_global
_chemical_name_mineral 'Chabazite-Mg'
loop_
_publ_author_name
'Passaglia E'
'Ferro O'
_journal_name_full 'Studies in Surface Science and Catalysis'
_journal_volume 142 
_journal_year 2002
_journal_page_first 1729
_journal_page_last 1735
_publ_section_title
;
 Occurrence and crystal structure of magnesian chabazite
;
_database_code_amcsd 0017697
_chemical_compound_source 'Mont Semiol, Montbrison, France'
_chemical_formula_sum 'Ca.848 K.652 Mg.66 (Si8.688 Al3.312) O37.22 H26.44'
_cell_length_a 9.382
_cell_length_b 9.382
_cell_length_c 9.382
_cell_angle_alpha 94.57
_cell_angle_beta 94.57
_cell_angle_gamma 94.57
_cell_volume 817.498
_exptl_crystal_density_diffrn      2.094
_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
Ca1   0.23290   0.23290   0.23290   0.22000   0.03940
K1   0.23290   0.23290   0.23290   0.17000   0.03940
Ca2   0.58500   0.58500   0.23660   0.06800   0.04300
K2   0.58500   0.58500   0.23660   0.05200   0.04300
Mg   0.40280   0.40280   0.40280   0.33000   0.04600
Si   0.10548   0.33341   0.87760   0.72400   0.01210
Al   0.10548   0.33341   0.87760   0.27600   0.01210
O1   0.26020   0.73980   0.00000   1.00000   0.03620
O2   0.15200   0.84800   0.50000   1.00000   0.02650
O3   0.25450   0.25450   0.89480   1.00000   0.03140
O4   0.02790   0.02790   0.32540   1.00000   0.02940
Wat1   0.50000   0.50000   0.00000   1.00000   0.11200
Wat2   0.22100   0.32100   0.51500   0.54000   0.16200
Wat3   0.50000   0.62400   0.37600   0.37000   0.14000
Wat4   0.54300   0.54300   0.29500   0.14000   0.11000
Wat5   0.26800   0.26800   0.26800   0.34000   0.13000