data_global
_chemical_name_mineral 'Chayesite'
loop_
_publ_author_name
'Nguyen N'
'Choisnet J'
'Raveau B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 34 
_journal_year 1980
_journal_page_first 1
_journal_page_last 9
_publ_section_title
;
 Silicates synthetiques a structure milarite
;
_database_code_amcsd 0013386
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'K2 (Mg3 Fe2) Si12 O30'
_cell_length_a 10.22
_cell_length_b 10.22
_cell_length_c 14.176
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1282.290
_exptl_crystal_density_diffrn      2.797
_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
_atom_site_U_iso_or_equiv
KA1   0.00000   0.00000   0.25000   1.00000   0.01013
KA2   0.33333   0.66667   0.00000   0.50000   0.00760
MgM1   0.33333   0.66667   0.25000   0.80000   0.02026
FeM1   0.33333   0.66667   0.25000   0.20000   0.02026
MgM2   0.50000   0.00000   0.25000   0.46670   0.01646
FeM2   0.50000   0.00000   0.25000   0.53330   0.01646
Si   0.76300   0.11000   0.11400   1.00000   0.01393
O1   0.73800   0.11600   0.00000   1.00000   0.00127
O2   0.93600   0.20700   0.13600   1.00000   0.00127
O3   0.65100   0.15200   0.16600   1.00000   0.01013