data_1008651
_chemical_name_systematic
;
Barium magnesium iron oxide (0.99/0.7/6.3/11)
;
_chemical_formula_structural       'Ba0.99 (Mg0.705 Fe0.295) Fe6 O11'
_chemical_formula_sum              'Ba.99 Fe6.295 Mg.705 O11'
_publ_section_title
;
Magnesium location in the barium-magnesium-iron Y-type hexagonal ferrite
;
loop_
_publ_author_name
  'Collomb, A'
  'Muller, J'
  'Fournier, T'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    28
_journal_year                      1993
_journal_page_first                621
_journal_page_last                 627
_cell_length_a                     5.865(1)
_cell_length_b                     5.865(1)
_cell_length_c                     43.48599(400)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       1295.4
_cell_formula_units_Z              6
_symmetry_space_group_name_H-M     'R -3 m H'
_symmetry_Int_Tables_number        166
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'x,x-y,z'
  'y-x,y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-y,-z'
  '1/3+x,2/3+y,2/3+z'
  '2/3+x,1/3+y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  '2/3-y,1/3-x,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x,2/3-y,2/3-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  '2/3+x-y,1/3-y,1/3-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Mg2+   2.000
  Fe3+   2.960
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Ba1   Ba2+   6 c 0. 0. 0.29985(1) 0.99(1)  0 d
  Mg1   Mg2+   6 c 0. 0. 0.37646(2) 0.04(1)  0 d
  Fe1   Fe3+   6 c 0. 0. 0.37646(2) 0.96(1)  0 d
  Mg2   Mg2+   6 c 0. 0. 0.15225(2) 0.14(1)  0 d
  Fe2   Fe3+   6 c 0. 0. 0.15225(2) 0.86(1)  0 d
  Fe3   Fe3+   6 c 0. 0. 0.06558(1) 1.  0 d
  Mg3   Mg2+   3 b 0. 0. 0.5 0.12(1)  0 d
  Fe4   Fe3+   3 b 0. 0. 0.5 0.88(1)  0 d
  Mg4   Mg2+  18 h 0.50381(4) 0.49619(4) 0.10962(1) 0.135(5)  0 d
  Fe5   Fe3+  18 h 0.50381(4) 0.49619(4) 0.10962(1) 0.865(5)  0 d
  Mg5   Mg2+   3 a 0. 0. 0. 0.12(1)  0 d
  Fe6   Fe3+   3 a 0. 0. 0. 0.88(1)  0 d
  O1    O2-    6 c 0. 0. 0.41978(7) 1.  0 d
  O2    O2-    6 c 0. 0. 0.19632(8) 1.  0 d
  O3    O2-   18 h 0.15830(21) 0.84170(21) 0.02892(5) 1.  0 d
  O4    O2-   18 h 0.82994(18) 0.17006(18) 0.08495(4) 1.  0 d
  O5    O2-   18 h 0.17682(19) 0.82318(19) 0.13835(4) 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Ba1   0.0088(1) 0.0044(1) 0. 0.0088(1) 0. 0.0088(1)
  Mg1   0.0049(2) 0.0025(1) 0. 0.0049(2) 0. 0.0043(3)
  Fe1   0.0049(2) 0.0025(1) 0. 0.0049(2) 0. 0.0043(3)
  Mg2   0.0041(2) 0.0021(1) 0. 0.0041(2) 0. 0.0051(3)
  Fe2   0.0041(2) 0.0021(1) 0. 0.0041(2) 0. 0.0051(3)
  Fe3   0.0054(2) 0.0027(1) 0. 0.0054(2) 0. 0.0050(3)
  Mg3   0.0051(3) 0.0025(2) 0. 0.0051(3) 0. 0.0038(4)
  Fe4   0.0051(3) 0.0025(2) 0. 0.0051(3) 0. 0.0038(4)
  Mg4   0.0055(1) 0.0033(1) .0000(1) 0.0055(1) .0000(1) 0.0056(1)
  Fe5   0.0055(1) 0.0033(1) .0000(1) 0.0055(1) .0000(1) 0.0056(1)
  Mg5   0.0065(3) 0.0032(2) 0. 0.0065(3) 0. 0.0043(4)
  Fe6   0.0065(3) 0.0032(2) 0. 0.0065(3) 0. 0.0043(4)
  O1    0.0059(8) 0.0030(4) 0. 0.0059(8) 0. 0.0038(13)
  O2    0.0045(6) 0.0023(3) 0. 0.0045(6) 0. 0.0081(14)
  O3    0.0099(7) 0.0051(8) -0.0027(4) 0.0099(7) 0.0027(4) 0.0113(8)
  O4    0.0051(5) 0.0020(6) 0.0009(3) 0.0051(5) -0.0009(3) 0.0073(7)
  O5    0.0061(6) 0.0034(7) 0.0001(3) 0.0061(6) -0.0001(3) 0.0056(7)
_refine_ls_R_factor_all            0.017