data_global
_chemical_name_mineral 'Chlormayenite'
loop_
_publ_author_name
'Galuskin E V'
'Kusz J'
'Armbruster T'
'Bailau R'
'Galuskina I O'
'Ternes B'
'Murashko M'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 76 
_journal_year 2012
_journal_page_first 707
_journal_page_last 716
_publ_section_title
;
 A reinvestigation of mayenite from the type locality, the Ettringer Bellerberg
 volcano near Mayen, Eifel district, Germany
;
_database_code_amcsd 0018992
_chemical_compound_source 'Ettringer Bellerberg volcano near Mayen, Eifel district, Germany'
_chemical_formula_sum 'Ca6 Al6.772 Fe.228 O16.748 Cl.624'
_cell_length_a 12.0320
_cell_length_b 12.0320
_cell_length_c 12.0320
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1741.861
_exptl_crystal_density_diffrn      2.768
_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   0.13784   0.00000   0.25000   1.00000   0.00593
Al1   0.01617   0.01617   0.01617   0.94300   0.00464
Fe1   0.01617   0.01617   0.01617   0.05700   0.00464
Al2   0.87500   0.00000   0.25000   1.00000   0.00326
O1   0.03539   0.44472   0.15013   1.00000   0.00681
O2   0.18393   0.18393   0.18393   0.90500   0.00778
O2a   0.20100   0.28490   0.10550   0.09400   0.00740
Cl   0.37500   0.00000   0.25000   0.20800   0.00920
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
Ca 0.00688 0.00654 0.00436 0.00000 0.00000 0.00055
Al1 0.00464 0.00464 0.00464 0.00103 0.00103 0.00103
Fe1 0.00464 0.00464 0.00464 0.00103 0.00103 0.00103
Al2 0.00273 0.00353 0.00353 0.00000 0.00000 0.00000
O1 0.00775 0.00608 0.00660 -0.00173 -0.00347 0.00075
O2 0.00778 0.00778 0.00778 -0.00180 -0.00180 -0.00180
O2a 0.00900 0.00230 0.01080 0.00120 0.00020 0.00230
Cl 0.00360 0.01200 0.01200 0.00000 0.00000 0.00000