data_global
_chemical_name_mineral 'Fluorkyuygenite'
loop_
_publ_author_name
'Galuskin E V'
'Gfeller F'
'Armbruster T'
'Galuskina I O'
'Vapnik Y'
'Dulski M'
'Murashko M'
'Dzierzanowski P'
'Sharygin V V'
'Krivovichev S V'
'Wirth R'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 27 
_journal_year 2015
_journal_page_first 123
_journal_page_last 136
_publ_section_title
;
 Mayenite supergroup, part III: fluormayenite, Ca12Al14O32[[]4F2], and
 fluorkyuygenite, Ca12Al14O32[(H2O)4F2], two new minerals from pyrometamorphic
 rocks of the Hatrurim Complex, South Levant
;
_database_code_amcsd 0020494
_chemical_compound_source 'Negev Desert, Hatrurim Basin, Arad, Israel'
_chemical_formula_sum 'Ca6 Al6.664 Fe.224 Si.112 O18.053 F.947 H3.958'
_cell_length_a 11.966
_cell_length_b 11.966
_cell_length_c 11.966
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1713.353
_exptl_crystal_density_diffrn      2.895
_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
Ca1   0.15460   0.00000   0.25000   0.66100   0.01250
Ca1a   0.18770   0.00000   0.25000   0.33900   0.01250
Al1   0.27006   0.27006   0.27006   0.94400   0.00870
Fe1   0.27006   0.27006   0.27006   0.05600   0.00870
Al2   0.12500   0.50000   0.25000   0.96260   0.00930
Si2   0.12500   0.50000   0.25000   0.03740   0.00930
O1   0.30770   0.21220   0.39970   1.00000   0.03500
O2   0.18700   0.18700   0.18700   1.00000   0.01210
F   0.37500   0.00000   0.25000   0.31570   0.03390
O-H   0.37500   0.00000   0.25000   0.04930   0.03390
Wat   0.37500   0.00000   0.25000   0.63500   0.03390
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
Ca1 0.01500 0.01060 0.01180 0.00000 0.00000 0.00080
Ca1a 0.01500 0.01060 0.01180 0.00000 0.00000 0.00080
Al1 0.00870 0.00870 0.00870 0.00180 0.00180 0.00180
Fe1 0.00870 0.00870 0.00870 0.00180 0.00180 0.00180
Al2 0.00650 0.01070 0.01070 0.00000 0.00000 0.00000
Si2 0.00650 0.01070 0.01070 0.00000 0.00000 0.00000
O1 0.02880 0.04540 0.03100 -0.02460 -0.01980 0.03110
O2 0.01210 0.01210 0.01210 0.00150 0.00150 0.00150
F 0.01400 0.04400 0.04400 0.00000 0.00000 0.00000
O-H 0.01400 0.04400 0.04400 0.00000 0.00000 0.00000
Wat 0.01400 0.04400 0.04400 0.00000 0.00000 0.00000