data_global
_amcsd_formula_title 'Fe10.99 Na2.4 O16.03'
loop_
_publ_author_name
'Vincent H'
'Bekka A'
'Anne M'
'Joubert J'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 81 
_journal_year 1989
_journal_page_first 181
_journal_page_last 191
_publ_section_title
;
 Synthese, structure cristalline,conductivite ionique, et proprietes
 magnetiques d'un nouveau ferrite de type alumine beta Na1.3 K.6 Fe10.1 Zn.9 O17
 _cod_database_code 1008437
;
_database_code_amcsd 0016343
_chemical_formula_sum 'Fe11 O16.03 Na2.4'
_cell_length_a 5.947
_cell_length_b 5.947
_cell_length_c 35.83
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1097.421
_exptl_crystal_density_diffrn      4.201
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1   0.16889  -0.16889  -0.06991   1.00000
Fe2   0.00000   0.00000   0.35041   0.99900
Fe3   0.00000   0.00000   0.44982   1.00000
Fe4   0.00000   0.00000   0.00000   0.99000
O1   0.15604  -0.15604   0.03389   0.92000
O2   0.16404  -0.16404   0.23599   0.95000
O3   0.00000   0.00000   0.29639   0.98700
O4   0.00000   0.00000   0.09588   0.91800
O5   0.00000   0.00000   0.50000   1.00000
Na1   0.70000  -0.70000   0.16350   0.40000
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
Fe1 0.00500 0.00500 0.00180 0.00270 0.00030 -0.00030
Fe2 0.00470 0.00470 0.00050 0.00240 0.00000 0.00000
Fe3 0.00540 0.00540 0.00010 0.00270 0.00000 0.00000
Fe4 0.00510 0.00510 0.00010 0.00260 0.00000 0.00000
O1 0.00470 0.00470 0.00010 0.00130 -0.00080 0.00080
O2 0.00450 0.00450 0.00320 0.00240 0.00090 -0.00090
O3 0.00550 0.00550 0.00300 0.00280 0.00000 0.00000
O4 0.00400 0.00400 0.00150 0.00200 0.00000 0.00000
O5 0.04230 0.04230 0.00240 0.02120 0.00000 0.00000
Na1 0.12980 0.12980 0.02950 -0.08560 0.05020 -0.05020