data_global
_chemical_name_mineral 'Cymrite-K'
loop_
_publ_author_name
'Fasshauer D W'
'Chatterjee N D'
'Marler B'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 24 
_journal_year 1997
_journal_page_first 455
_journal_page_last 462
_publ_section_title
;
 Synthesis, structure, thermodynamic properties, and stability
 relations of K-cymrite, K[AlSi3O8].H2O
;
_database_code_amcsd 0008028
_chemical_formula_sum 'K (Al Si3) O9 H2'
_cell_length_a 5.3348
_cell_length_b 5.3348
_cell_length_c 7.7057
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 189.924
_exptl_crystal_density_diffrn      2.591
_symmetry_space_group_name_H-M 'P 6/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,z'
  'x,x-y,-z'
  '-x+y,-x,-z'
  'x-y,x,z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,z'
  '-x+y,y,-z'
  'x,y,-z'
  '-x,-y,z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,x-y,-z'
  'y,-x+y,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
K   0.00000   0.00000   0.00000   1.00000   0.03730
Al   0.33333   0.66667   0.28831   0.25000   0.01243
Si   0.33333   0.66667   0.28830   0.75000   0.01243
O1   0.50000   0.00000   0.21369   1.00000   0.01419
O2   0.33333   0.66667   0.50000   1.00000   0.01429
Wat   0.00000   0.00000   0.50000   1.00000 ?
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Wat 0.01030 0.01030 0.22310 0.00520 0.00000 0.00000