data_global
_chemical_name_mineral 'Merrihueite'
loop_
_publ_author_name
'Khan A A'
'Baur W H'
'Forbes W C'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 28 
_journal_year 1972
_journal_page_first 267
_journal_page_last 272
_publ_section_title
;
 Synthetic magnesian merrihueite, dipotassium pentamagnesium dodecasilicate:
 a tetrahedral magnesiosilicate framework crystal structure
;
_database_code_amcsd 0009423
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'K2 Mg5 Si12 O30'
_cell_length_a 10.222
_cell_length_b 10.222
_cell_length_c 14.152
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1280.620
_exptl_crystal_density_diffrn      2.637
_symmetry_space_group_name_H-M 'P 6/m c 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,-z'
  'x-y,x,z'
  '-y,-x,1/2+z'
  'y,x,1/2-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  'x,x-y,1/2+z'
  '-x,-x+y,1/2-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,-z'
  'y,-x+y,z'
  '-x+y,y,1/2+z'
  'x-y,-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K1   0.00000   0.00000   0.25000   1.00000
K2   0.33333   0.66667   0.00000   0.50000
Mg1   0.33333   0.66667   0.25000   1.00000
Mg2   0.50000   0.00000   0.25000   1.00000
Si   0.11260   0.34840   0.11240   1.00000
O1   0.12390   0.37880   0.00000   1.00000
O2   0.21830   0.27630   0.13960   1.00000
O3   0.15510   0.49680   0.17080   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
K1 0.01270 0.01270 0.02334 0.00635 0.00000 0.00000
K2 0.01112 0.01112 0.01826 0.00556 0.00000 0.00000
Mg1 0.00635 0.00635 0.01420 0.00318 0.00000 0.00000
Mg2 0.01191 0.00794 0.01218 0.00397 0.00000 0.00000
Si 0.00834 0.01151 0.00812 0.00516 -0.00063 -0.00127
O1 0.02461 0.02461 0.00913 0.01270 0.00000 0.00000
O2 0.01985 0.02184 0.01725 0.01548 0.00063 0.00190
O3 0.01270 0.01151 0.01420 0.00596 -0.00063 0.00000