data_global
_chemical_name_mineral 'Fluormayenite'
loop_
_publ_author_name
'Yu Q'
'Sugita S'
'Feng X'
'Mi J'
_journal_name_full 'Cement and Concrete Research'
_journal_volume 27 
_journal_year 1997
_journal_page_first 1439
_journal_page_last 1449
_publ_section_title
;
 On the preparation of single crystals of 11CaO*7Al2O3*CaF2
 and the confirmation of its crystal structure
;
_database_code_amcsd 0019956
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca6 Al7 O16 F'
_cell_length_a 11.981
_cell_length_b 11.981
_cell_length_c 11.981
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1719.805
_exptl_crystal_density_diffrn      2.720
_symmetry_space_group_name_H-M 'I -4 3 d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-z,x,-y'
  '-z,1/2+x,1/2-y'
  '1/2-y,z,-x'
  '-y,1/2+z,1/2-x'
  '1/2-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/4+x,3/4-z,1/4-y'
  '3/4+x,1/4-z,3/4-y'
  '1/4+z,3/4-y,1/4-x'
  '3/4+z,1/4-y,3/4-x'
  '1/4+y,3/4-x,1/4-z'
  '3/4+y,1/4-x,3/4-z'
  '1/4+x,1/4+z,1/4+y'
  '3/4+x,3/4+z,3/4+y'
  '1/4+z,1/4+y,1/4+x'
  '3/4+z,3/4+y,3/4+x'
  '1/4+y,1/4+x,1/4+z'
  '3/4+y,3/4+x,3/4+z'
  '-z,1/2-x,y'
  '1/2-z,-x,1/2+y'
  '-y,1/2-z,x'
  '1/2-y,-z,1/2+x'
  '-x,1/2-y,z'
  '1/2-x,-y,1/2+z'
  '1/2+z,1/2-x,-y'
  '+z,-x,1/2-y'
  '1/2+y,1/2-z,-x'
  '+y,-z,1/2-x'
  '1/2+x,1/2-y,-z'
  '+x,-y,1/2-z'
  '3/4-x,3/4+z,1/4-y'
  '1/4-x,1/4+z,3/4-y'
  '3/4-z,3/4+y,1/4-x'
  '1/4-z,1/4+y,3/4-x'
  '3/4-y,3/4+x,1/4-z'
  '1/4-y,1/4+x,3/4-z'
  '3/4-x,1/4-z,1/4+y'
  '1/4-x,3/4-z,3/4+y'
  '3/4-z,1/4-y,1/4+x'
  '1/4-z,3/4-y,3/4+x'
  '3/4-y,1/4-x,1/4+z'
  '1/4-y,3/4-x,3/4+z'
  'z,x,y'
  '1/2+z,1/2+x,1/2+y'
  'y,z,x'
  '1/2+y,1/2+z,1/2+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
Ca   0.11040   0.00000   0.25000   1.00000   0.00860
Al1   0.37500   0.00000   0.25000   1.00000   0.09000
Al2   0.23240   0.23240   0.23240   1.00000   0.04000
O1   0.06610   0.06610   0.06610   1.00000   0.01900
O2   0.19550   0.28520   0.10040   1.00000   0.01400
F   0.15000   0.12500   0.50000   0.08333   0.02400