#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008855.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1008855
_chemical_name_systematic          'Strontium dodecaferrate(III)'
_chemical_formula_structural       'Sr (Fe12 O19)'
_chemical_formula_sum              'Fe12 O19 Sr'
_publ_section_title
;
A new representation of the bipyramidal site in the Sr Fe12 O19 M-type
hexagonal ferrite between 4.6 and 195 K
;
loop_
_publ_author_name
  'Muller, J'
  'Collomb, A'
_journal_name_full                 'Journal of Magnetism and Magnetic Materials'
_journal_coden_ASTM                JMMMDC
_journal_volume                    103
_journal_year                      1992
_journal_page_first                194
_journal_page_last                 203
_cell_length_a                     5.8758(4)
_cell_length_b                     5.8758(4)
_cell_length_c                     22.95799(200)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       686.4
_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
  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 d 0.3333 0.6667 0.75 1.  0 d
  Fe1   Fe3+   2 a 0. 0. 0. 1.  0 d
  Fe2   Fe3+   4 e 0. 0. 0.2525(3) 0.5  0 d
  Fe3   Fe3+   4 f 0.3333 0.6667 0.02723(3) 1.  0 d
  Fe4   Fe3+   4 f 0.3333 0.6667 0.19091(3) 1.  0 d
  Fe5   Fe3+  12 k 0.16884(6) 0.33768(12) -0.10925(2) 1.  0 d
  O1    O2-    4 e 0. 0. 0.1520(2) 1.  0 d
  O2    O2-    4 f 0.3333 0.6667 -0.0551(2) 1.  0 d
  O3    O2-    6 h 0.1820(4) 0.3640(8) 0.25 1.  0 d
  O4    O2-   12 k 0.1561(3) 0.3122(6) 0.0526(1) 1.  0 d
  O5    O2-   12 k 0.5047(3) 0.0094(6) 0.1512(1) 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
  Sr1   0.0043(3) 0.0022(2) 0. 0.0043(3) 0. 0.0037(3)
  Fe1   0.0030(4) 0.0015(2) 0. 0.0030(4) 0. 0.0028(5)
  Fe3   0.0036(3) 0.0018(2) 0. 0.0036(3) 0. 0.0028(5)
  Fe4   0.0030(3) 0.0015(2) 0. 0.0030(3) 0. 0.0036(3)
  Fe5   0.0030(2) 0.0015(1) -0.00001(10) 0.0030(3) -0.00002(20) 0.0038(2)
  O1    0.0036(13) 0.0018(7) 0. 0.0036(13) 0. 0.0035(17)
  O2    0.0051(14) 0.0026(7) 0. 0.0051(14) 0. 0.0036(17)
  O3    0.0101(14) 0.0037(11) 0. 0.0073(21) 0. 0.0049(12)
  O4    0.0039(9) 0.0026(7) 0.0007(5) 0.0052(13) 0.0014(9) 0.0046(10)
  O5    0.0054(8) 0.0032(6) 0.0001(6) 0.0063(12) 0.0002(11) 0.0051(9)
_refine_ls_R_factor_all            0.016