#------------------------------------------------------------------------------
#$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2009103.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_2009103
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  1751
_journal_page_last  1753
_publ_section_title
;
Manganese-rich natural Franklinite
;
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_[local]_cod_cif_authors_sg_H-M  'F d -3 m'
loop_
_publ_author_name
  'Doriguetto, Ant\^onio C.'
  'Fernandes, Nelson G.'
_chemical_name_common  'Franklinite'
_chemical_formula_moiety  'Zn0.68 Mn0.36 Fe1.96 O4'
_chemical_formula_sum  'Fe1.96 Mn0.36 O4 Zn0.68'
_chemical_formula_structural  'Zn0.68 Mn0.36 Fe1.96 O4'
_chemical_formula_iupac  '(Zn0.65 Mn0.35) Fe2 O4'
_chemical_formula_weight  237.7
_symmetry_cell_setting  Cubic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -y,1/4+x,1/4+z
  3/4-x,1/4-y,1/2+z
  3/4+y,-x,3/4+z
  x,1/4-y,1/4-z
  3/4+y,1/4+x,1/2-z
  3/4-x,y,3/4-z
  -y,-x,-z
  z,x,y
  -x,1/4+z,1/4+y
  3/4-z,1/4-x,1/2+y
  3/4+x,-z,3/4+y
  z,1/4-x,1/4-y
  3/4+x,1/4+z,1/2-y
  3/4-z,x,3/4-y
  -x,-z,-y
  y,z,x
  -z,-y,-x
  1/2-z,3/4+y,1/4+x
  3/4+z,3/4+y,-x
  1/4+z,-y,1/4+x
  y,1/4-z,1/4-x
  1/4-y,3/4-z,1/2+x
  1/4-y,z,1/4-x
  -x,-y,-z
  y,3/4-x,3/4-z
  1/4+x,3/4+y,1/2-z
  1/4-y,x,1/4-z
  -x,3/4+y,3/4+z
  1/4-y,3/4-x,1/2+z
  1/4+x,-y,1/4+z
  y,x,z
  -z,-x,-y
  x,3/4-z,3/4-y
  1/4+z,3/4+x,1/2-y
  1/4-x,z,1/4-y
  -z,3/4+x,3/4+y
  1/4-x,3/4-z,1/2+y
  1/4+z,-x,1/4+y
  x,z,y
  -y,-z,-x
  z,y,x
  1/2+z,1/4-y,3/4-x
  1/4-z,1/4-y,x
  3/4-z,y,3/4-x
  -y,3/4+z,3/4+x
  3/4+y,1/4+z,1/2-x
  3/4+y,-z,3/4+x
  x,1/2+y,1/2+z
  -y,3/4+x,3/4+z
  3/4-x,3/4-y,z
  3/4+y,1/2-x,1/4+z
  x,3/4-y,3/4-z
  3/4+y,3/4+x,-z
  3/4-x,1/2+y,1/4-z
  -y,1/2-x,1/2-z
  z,1/2+x,1/2+y
  -x,3/4+z,3/4+y
  3/4-z,3/4-x,y
  3/4+x,1/2-z,1/4+y
  z,3/4-x,3/4-y
  3/4+x,3/4+z,-y
  3/4-z,1/2+x,1/4-y
  -x,1/2-z,1/2-y
  y,1/2+z,1/2+x
  -z,1/2-y,1/2-x
  1/2-z,1/4+y,3/4+x
  3/4+z,1/4+y,1/2-x
  1/4+z,1/2-y,3/4+x
  y,3/4-z,3/4-x
  1/4-y,1/4-z,x
  1/4-y,1/2+z,3/4-x
  -x,1/2-y,1/2-z
  y,1/4-x,1/4-z
  1/4+x,1/4+y,-z
  1/4-y,1/2+x,3/4-z
  -x,1/4+y,1/4+z
  1/4-y,1/4-x,z
  1/4+x,1/2-y,3/4+z
  y,1/2+x,1/2+z
  -z,1/2-x,1/2-y
  x,1/4-z,1/4-y
  1/4+z,1/4+x,-y
  1/4-x,1/2+z,3/4-y
  -z,1/4+x,1/4+y
  1/4-x,1/4-z,y
  1/4+z,1/2-x,3/4+y
  x,1/2+z,1/2+y
  -y,1/2-z,1/2-x
  z,1/2+y,1/2+x
  1/2+z,3/4-y,1/4-x
  1/4-z,3/4-y,1/2+x
  3/4-z,1/2+y,1/4-x
  -y,1/4+z,1/4+x
  3/4+y,3/4+z,-x
  3/4+y,1/2-z,1/4+x
  1/2+x,y,1/2+z
  1/2-y,1/4+x,3/4+z
  1/4-x,1/4-y,z
  1/4+y,-x,1/4+z
  1/2+x,1/4-y,3/4-z
  1/4+y,1/4+x,-z
  1/4-x,y,1/4-z
  1/2-y,-x,1/2-z
  1/2+z,x,1/2+y
  1/2-x,1/4+z,3/4+y
  1/4-z,1/4-x,y
  1/4+x,-z,1/4+y
  1/2+z,1/4-x,3/4-y
  1/4+x,1/4+z,-y
  1/4-z,x,1/4-y
  1/2-x,-z,1/2-y
  1/2+y,z,1/2+x
  1/2-z,-y,1/2-x
  -z,3/4+y,3/4+x
  1/4+z,3/4+y,1/2-x
  3/4+z,-y,3/4+x
  1/2+y,1/4-z,3/4-x
  3/4-y,3/4-z,x
  3/4-y,z,3/4-x
  1/2-x,-y,1/2-z
  1/2+y,3/4-x,1/4-z
  3/4+x,3/4+y,-z
  3/4-y,x,3/4-z
  1/2-x,3/4+y,1/4+z
  3/4-y,3/4-x,z
  3/4+x,-y,3/4+z
  1/2+y,x,1/2+z
  1/2-z,-x,1/2-y
  1/2+x,3/4-z,1/4-y
  3/4+z,3/4+x,-y
  3/4-x,z,3/4-y
  1/2-z,3/4+x,1/4+y
  3/4-x,3/4-z,y
  3/4+z,-x,3/4+y
  1/2+x,z,1/2+y
  1/2-y,-z,1/2-x
  1/2+z,y,1/2+x
  z,1/4-y,1/4-x
  3/4-z,1/4-y,1/2+x
  1/4-z,y,1/4-x
  1/2-y,3/4+z,1/4+x
  1/4+y,1/4+z,-x
  1/4+y,-z,1/4+x
  1/2+x,1/2+y,z
  1/2-y,3/4+x,1/4+z
  1/4-x,3/4-y,1/2+z
  1/4+y,1/2-x,3/4+z
  1/2+x,3/4-y,1/4-z
  1/4+y,3/4+x,1/2-z
  1/4-x,1/2+y,3/4-z
  1/2-y,1/2-x,-z
  1/2+z,1/2+x,y
  1/2-x,3/4+z,1/4+y
  1/4-z,3/4-x,1/2+y
  1/4+x,1/2-z,3/4+y
  1/2+z,3/4-x,1/4-y
  1/4+x,3/4+z,1/2-y
  1/4-z,1/2+x,3/4-y
  1/2-x,1/2-z,-y
  1/2+y,1/2+z,x
  1/2-z,1/2-y,-x
  -z,1/4+y,1/4+x
  1/4+z,1/4+y,-x
  3/4+z,1/2-y,1/4+x
  1/2+y,3/4-z,1/4-x
  3/4-y,1/4-z,1/2+x
  3/4-y,1/2+z,1/4-x
  1/2-x,1/2-y,-z
  1/2+y,1/4-x,3/4-z
  3/4+x,1/4+y,1/2-z
  3/4-y,1/2+x,1/4-z
  1/2-x,1/4+y,3/4+z
  3/4-y,1/4-x,1/2+z
  3/4+x,1/2-y,1/4+z
  1/2+y,1/2+x,z
  1/2-z,1/2-x,-y
  1/2+x,1/4-z,3/4-y
  3/4+z,1/4+x,1/2-y
  3/4-x,1/2+z,1/4-y
  1/2-z,1/4+x,3/4+y
  3/4-x,1/4-z,1/2+y
  3/4+z,1/2-x,1/4+y
  1/2+x,1/2+z,y
  1/2-y,1/2-z,-x
  1/2+z,1/2+y,x
  z,3/4-y,3/4-x
  3/4-z,3/4-y,x
  1/4-z,1/2+y,3/4-x
  1/2-y,1/4+z,3/4+x
  1/4+y,3/4+z,1/2-x
  1/4+y,1/2-z,3/4+x
_cell_length_a  8.4551(3)
_cell_length_b  8.4551(3)
_cell_length_c  8.4551(3)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  604.44
_cell_formula_units_Z  8
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  5.222
_diffrn_ambient_temperature  298(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
  Fe  .5  .5  .5  .00512(2) 1
  Mn  .125  .125  .125  .00544(2)  .350(10)
  Zn  .125  .125  .125  .00544(2)  .650(10)
  O  .26103(4)  .26103(4)  .26103(4)  .00547(3) 1
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
  Fe  .00512(4)  .00512(4)  .00512(4)  -.00066(2)  -.00066(2)  -.00066(2)
  Mn  .00544(4)  .00544(4)  .00544(4) 0 0 0
  Zn  .00544(4)  .00544(4)  .00544(4) 0 0 0
  O  .00547(7)  .00547(7)  .00547(7)  -.00029(7)  -.00029(7)  -.00029(7)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Zn O . . 1.9921(3) yes
  Mn O . . 1.9921(3) yes
  Fe O . 2_655 2.0248(3) yes
  Fe O . 7_555 2.0248(3) no
  Fe O . 21_565 2.0248(3) no
  Fe O . 26_555 2.0248(3) no
  Fe O . . 2.0248(3) no
  Fe O . . 2.0248(3) no
  Mn O . 5_555 1.9921(3) no
  Mn O . 24_555 1.9921(3) no
  Mn O . . 1.9921(3) no
  Zn O . . 1.9921(3) no
  Zn O . 5_555 1.9921(3) no
  Zn O . 24_555 1.9921(3) no