data_1008439
_chemical_name_systematic
;
Strontium zinc manganese(II) iron manganese(III) iron(III) oxide
(1/.66/.86/.45/.58/15.45/27)
;
_chemical_formula_structural       'Sr Zn.66 Mn1.44 Fe15.9 O27'
_chemical_formula_analytical       'Sr Zn.67 Mn1.33 Fe16 O27'
_chemical_formula_sum              'Fe15.9 Mn1.44 O27 Sr Zn.66'
_publ_section_title
;
Neutron diffraction studies of the crystallographic and magnetic
structures of SrZn~2/3~ Mn~4/3~ Fe~16~ O~27~
;
loop_
_publ_author_name
  'Collomb, A'
  'Litsardakis, G'
  'Samaras, D'
  'Pannetier, J'
_journal_name_full                 'Journal of Magnetism and Magnetic Materials'
_journal_coden_ASTM                JMMMDC
_journal_volume                    78
_journal_year                      1989
_journal_page_first                219
_journal_page_last                 225
_cell_length_a                     5.9442(8)
_cell_length_b                     5.9442(8)
_cell_length_c                     32.875(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       1006.0
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63/m m c'
_symmetry_Int_Tables_number        194
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
  'x,y,1/2-z'
  '-y,x-y,1/2-z'
  'y-x,-x,1/2-z'
  '-y,-x,1/2-z'
  'y-x,y,1/2-z'
  'x,x-y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Fe3+   3.000
  Fe2+   2.000
  Zn2+   2.000
  Mn2+   2.000
  Mn3+   3.000
  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
  Sr1   Sr2+   2 b 0. 0. 0.25 1.  0 d
  Fe1   Fe3+   4 f 0.3333 0.6667 -0.2456(10) 0.5  0 d
  Fe2   Fe3+   4 f 0.3333 0.6667 -0.4234(2) 1.  0 d
  Fe3   Fe2+   6 g 0.5 0. 0. 0.15(5)  0 d
  Fe4   Fe3+   6 g 0.5 0. 0. 0.85(5)  0 d
  Zn1   Zn2+   4 e 0. 0. 0.0586(3) 0.25(7)  0 d
  Mn1   Mn2+   4 e 0. 0. 0.0586(3) 0.29(3)  0 d
  Fe5   Fe3+   4 e 0. 0. 0.0586(3) 0.46(5)  0 d
  Zn2   Zn2+   4 f 0.3333 0.6667 0.0938(2) 0.08(8)  0 d
  Mn2   Mn2+   4 f 0.3333 0.6667 0.0938(2) 0.14(3)  0 d
  Fe6   Fe3+   4 f 0.3333 0.6667 0.0938(2) 0.78(6)  0 d
  Mn3   Mn3+   4 f 0.3333 0.6667 0.2054(2) 0.11(1)  0 d
  Fe7   Fe3+   4 f 0.3333 0.6667 0.2054(2) 0.89(1)  0 d
  Mn4   Mn3+  12 k -0.1634(3) -0.3268 0.1512(1) 0.06(1)  0 d
  Fe8   Fe3+  12 k -0.1634(3) -0.3268 0.1512(1) 0.94(1)  0 d
  O1    O2-    4 e 0. 0. 0.1192(5) 1.  0 d
  O2    O2-    4 f 0.3333 0.6667 0.0345(5) 1.  0 d
  O3    O2-    4 f 0.3333 0.6667 -0.3245(6) 1.  0 d
  O4    O2-    6 h 0.4777(10) 0.9554 0.25 1.  0 d
  O5    O2-   12 k 0.5067(9) 0.0134 0.1101(2) 1.  0 d
  O6    O2-   12 k -0.1804(6) -0.3608 0.0371(2) 1.  0 d
  O7    O2-   12 k 0.1584 0.3168 0.1827(3) 1.  0 d
_refine_ls_R_factor_all            0.026