data_global
_chemical_name_mineral 'Bixbyite-(Mn)'
loop_
_publ_author_name
'Norberg S T'
'Azimi G'
'Hull S'
'Leion H'
_journal_name_full 'CrystEngComm'
_journal_volume 18 
_journal_year 2016
_journal_page_first 5537
_journal_page_last 5546
_publ_section_title
;
 In situ neutron powder diffraction study of the reaction M2O3 <-> M3O4 <-> MO,
 M = (Fe0.2Mn0.8): implications for chemical looping with oxygen uncoupling
 Note: T = 700 C
;
_database_code_amcsd 0021112
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Mn1.605 Fe.396) O3'
_cell_length_a 9.48780
_cell_length_b 9.48780
_cell_length_c 9.48780
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 854.076
_exptl_crystal_density_diffrn      4.922
_symmetry_space_group_name_H-M 'I a 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2+z,x,1/2-y'
  '+z,1/2+x,-y'
  '1/2+z,-x,y'
  '+z,1/2-x,1/2+y'
  '-z,x,1/2+y'
  '1/2-z,1/2+x,+y'
  '-z,-x,-y'
  '1/2-z,1/2-x,1/2-y'
  '1/2+y,1/2-z,-x'
  '+y,-z,1/2-x'
  '-y,1/2-z,x'
  '1/2-y,-z,1/2+x'
  '1/2-y,z,-x'
  '-y,1/2+z,1/2-x'
  'y,z,x'
  '1/2+y,1/2+z,1/2+x'
  'x,1/2-y,1/2+z'
  '1/2+x,-y,+z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
  'x,1/2+y,-z'
  '1/2+x,+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
  '1/2-z,-x,1/2+y'
  '-z,1/2-x,+y'
  '1/2-z,x,-y'
  '-z,1/2+x,1/2-y'
  'z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  '1/2+z,1/2+x,1/2+y'
  '1/2-y,1/2+z,x'
  '-y,+z,1/2+x'
  'y,1/2+z,-x'
  '1/2+y,+z,1/2-x'
  '1/2+y,-z,x'
  '+y,1/2-z,1/2+x'
  '-y,-z,-x'
  '1/2-y,1/2-z,1/2-x'
  '-x,1/2+y,1/2-z'
  '1/2-x,+y,-z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,1/2-y,z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mn1   0.00000   0.00000   0.00000   0.68900   0.00130
Fe1   0.00000   0.00000   0.00000   0.31100   0.00130
Mn2   0.28220   0.00000   0.25000   0.84000   0.00140
Fe2   0.28220   0.00000   0.25000   0.16000   0.00140
O   0.08383   0.36910   0.14340   1.00000   0.00196