data_global
_chemical_name_mineral 'Fluormayenite'
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 0020495
_chemical_compound_source 'Jabel Harmun, Judean Mountains, Palestinian Autonomy, Israel'
_chemical_formula_sum 'Ca5.981 Na.019 Al6.838 Fe.135 Mg.02 O16.593 F1.053 H1.053'
_cell_length_a 11.9894
_cell_length_b 11.9894
_cell_length_c 11.9894
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1723.425
_exptl_crystal_density_diffrn      2.772
_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   0.13974   0.00000   0.25000   0.75590   0.01153
Na1   0.13974   0.00000   0.25000   0.00310   0.01153
Ca1a   0.18350   0.00000   0.25000   0.24100   0.01153
Al1   0.26832   0.26832   0.26832   0.95940   0.00754
Fe1   0.26832   0.26832   0.26832   0.03380   0.00754
Mg1   0.26832   0.26832   0.26832   0.00500   0.00754
Al2   0.12500   0.50000   0.25000   1.00000   0.00790
O1   0.30716   0.21386   0.40079   1.00000   0.01500
O2   0.18567   0.18567   0.18567   0.88500   0.01140
O-H2a   0.12100   0.21800   0.29600   0.05750   0.10200
F2a   0.12100   0.21800   0.29600   0.05750   0.10200
O-HW   0.37500   0.00000   0.25000   0.12090   0.02000
FW   0.37500   0.00000   0.25000   0.12090   0.02000
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 0.01380 0.01200 0.00880 0.00000 0.00000 0.00028
Na1 0.01380 0.01200 0.00880 0.00000 0.00000 0.00028
Ca1a 0.01380 0.01200 0.00880 0.00000 0.00000 0.00028
Al1 0.00754 0.00754 0.00754 0.00119 0.00119 0.00119
Fe1 0.00754 0.00754 0.00754 0.00119 0.00119 0.00119
Mg1 0.00754 0.00754 0.00754 0.00119 0.00119 0.00119
Al2 0.00710 0.00830 0.00830 0.00000 0.00000 0.00000
O1 0.01150 0.01730 0.01630 -0.00440 -0.00340 0.00820
O2 0.01140 0.01140 0.01140 -0.00200 -0.00200 -0.00200
O-H2a 0.01140 0.01140 0.01140 -0.00200 -0.00200 -0.00200
F2a 0.00300 0.02800 0.02800 0.00000 0.00000 0.00000
O-HW 0.00300 0.02800 0.02800 0.00000 0.00000 0.00000
FW 0.00300 0.02800 0.02800 0.00000 0.00000 0.00000