data_global
_amcsd_formula_title 'F7 Fe Na2 Ni'
loop_
_publ_author_name
'Laligant Y'
'Calage Y'
'Heger G'
'Pannetier J'
'Ferey G'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 78 
_journal_year 1989
_journal_page_first 66
_journal_page_last 77
_publ_section_title
;
 Ordered Magnetic Frustration VII. Na2 Ni Fe F7: Reexamination of
 Its Crystal Structure in the True Space Group after Corrections from
 Renninger Effect and Refinement of Its Frustrated Magnetic Structure at
 4.2 and 55 K
 _cod_database_code 1000257
;
_database_code_amcsd 0013630
_chemical_formula_sum 'Na2 Ni Fe F7'
_cell_length_a 7.2338
_cell_length_b 10.3050
_cell_length_c 7.4529
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 555.571
_exptl_crystal_density_diffrn      3.509
_symmetry_space_group_name_H-M 'I m m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,-y,1/2+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'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,1/2+y,-z'
  '1/2+x,+y,1/2-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'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na1   0.00000   0.00000   0.00000
Na2   0.25000   0.25000   0.75000
Ni1   0.25000   0.25000   0.25000
Fe1   0.00000   0.00000   0.50000
F1   0.00000   0.25000   0.14730
F2   0.00000   0.41090   0.72990
F3   0.19600   0.38400   0.43480
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
Na1 0.02360 0.05680 0.01900 0.00000 0.00000 0.01890
Na2 0.02230 0.02300 0.06670 0.00000 -0.00360 0.00000
Ni1 0.00680 0.00660 0.00820 0.00000 0.00110 0.00000
Fe1 0.00900 0.00840 0.00830 0.00000 0.00000 0.00250
F1 0.00740 0.02860 0.01770 0.00000 0.00000 0.00000
F2 0.02290 0.02070 0.01090 0.00000 0.00000 0.00160
F3 0.01620 0.01880 0.02900 0.00510 0.00110 -0.01080