data_global
_amcsd_formula_title 'Ba0.99 Fe6.295 Mg0.705 O11'
loop_
_publ_author_name
'Collomb A'
'Muller J'
'Fournier T'
_journal_name_full 'Materials Research Bulletin'
_journal_volume 28 
_journal_year 1993
_journal_page_first 621
_journal_page_last 627
_publ_section_title
;
 Magnesium location in the barium-magnesium-iron Y-type hexagonal ferrite
 _cod_database_code 1008651
;
_database_code_amcsd 0016539
_chemical_formula_sum 'Ba.99 Mg.705 Fe6.295 O11'
_cell_length_a 5.865
_cell_length_b 5.865
_cell_length_c 43.48599
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1295.436
_exptl_crystal_density_diffrn      5.235
_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_occupancy
Ba1   0.00000   0.00000   0.29985   0.99000
Mg1   0.00000   0.00000   0.37646   0.04000
Fe1   0.00000   0.00000   0.37646   0.96000
Mg2   0.00000   0.00000   0.15225   0.14000
Fe2   0.00000   0.00000   0.15225   0.86000
Fe3   0.00000   0.00000   0.06558   1.00000
Mg3   0.00000   0.00000   0.50000   0.12000
Fe4   0.00000   0.00000   0.50000   0.88000
Mg4   0.50381   0.49619   0.10962   0.13500
Fe5   0.50381   0.49619   0.10962   0.86500
Mg5   0.00000   0.00000   0.00000   0.12000
Fe6   0.00000   0.00000   0.00000   0.88000
O1   0.00000   0.00000   0.41978   1.00000
O2   0.00000   0.00000   0.19632   1.00000
O3   0.15830   0.84170   0.02892   1.00000
O4   0.82994   0.17006   0.08495   1.00000
O5   0.17682   0.82318   0.13835   1.00000
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
Ba1 0.00880 0.00880 0.00880 0.00440 0.00000 0.00000
Mg1 0.00490 0.00490 0.00430 0.00250 0.00000 0.00000
Fe1 0.00490 0.00490 0.00430 0.00250 0.00000 0.00000
Mg2 0.00410 0.00410 0.00510 0.00210 0.00000 0.00000
Fe2 0.00410 0.00410 0.00510 0.00210 0.00000 0.00000
Fe3 0.00540 0.00540 0.00500 0.00270 0.00000 0.00000
Mg3 0.00510 0.00510 0.00380 0.00250 0.00000 0.00000
Fe4 0.00510 0.00510 0.00380 0.00250 0.00000 0.00000
Mg4 0.00550 0.00550 0.00560 0.00330 0.00000 0.00000
Fe5 0.00550 0.00550 0.00560 0.00330 0.00000 0.00000
Mg5 0.00650 0.00650 0.00430 0.00320 0.00000 0.00000
Fe6 0.00650 0.00650 0.00430 0.00320 0.00000 0.00000
O1 0.00590 0.00590 0.00380 0.00300 0.00000 0.00000
O2 0.00450 0.00450 0.00810 0.00230 0.00000 0.00000
O3 0.00990 0.00990 0.01130 0.00510 -0.00270 0.00270
O4 0.00510 0.00510 0.00730 0.00200 0.00090 -0.00090
O5 0.00610 0.00610 0.00560 0.00340 0.00010 -0.00010