data_global
_chemical_name_mineral 'Nabimusaite'
loop_
_publ_author_name
'Fayos J'
'Glasser F P'
'Howie R A'
'Lachowski E'
'Perez-Mendez M'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 41 
_journal_year 1985
_journal_page_first 814
_journal_page_last 816
_publ_section_title
;
 Structure of dodecacalcium potassium fluoride dioxide tetrasilicate bis(sulphate),
 KF.2[Ca6(SO4)(SiO4)20]: a fluorine-containing phase encountered in cement clinker
 production process
;
_database_code_amcsd 0019773
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'K Ca12 Si4 S2 O26 F'
_cell_length_a 7.197
_cell_length_b 7.197
_cell_length_c 41.224
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1849.199
_exptl_crystal_density_diffrn      3.048
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K   0.00000   0.00000   0.00000   0.02698
Ca1   0.15930   0.84070   0.39790   0.01127
Ca2   0.15330   0.84670   0.53240   0.01013
Si1   0.00000   0.00000   0.20640   0.00899
Si2   0.00000   0.00000   0.08320   0.00988
S   0.00000   0.00000  -0.32430   0.00925
O1   0.55640   0.44360  -0.35480   0.01900
O2   0.12350   0.87650   0.19460   0.01646
O3   0.12610   0.87390   0.07280   0.01393
O4   0.00000   0.00000   0.36040   0.01267
O5   0.00000   0.00000  -0.24640   0.01520
O6   0.00000   0.00000   0.12330   0.01013
O7   0.00000   0.00000   0.43030   0.00633
F   0.00000   0.00000   0.50000   0.01773