data_1008356
_chemical_name_systematic          'Iron(II) diniobate'
_chemical_formula_structural       'Fe Nb2 O6'
_chemical_formula_sum              'Fe Nb2 O6'
_publ_section_title
;
Powder neutron diffraction study of Zr Ti O~4~, Zr~5~ Ti~7~ O~24~ and
Fe Nb~2~ O~6~
;
loop_
_publ_author_name
  'Bordet, P'
  'McHale, A'
  'Santoro, A'
  'Roth, R S'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    64
_journal_year                      1986
_journal_page_first                30
_journal_page_last                 46
_cell_length_a                     14.2661(2)
_cell_length_b                     5.7334(1)
_cell_length_c                     5.0495(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       413.0
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P b c n'
_symmetry_Int_Tables_number        60
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,1/2-y,-z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  'x,-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Fe2+   2.000
  Nb5+   5.000
  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
  Fe1   Fe2+   4 c 0. 0.3311(5) 0.25 1.  0 d
  Nb1   Nb5+   8 d 0.3389(2) 0.3191(3) 0.2506(6) 1.  0 d
  O1    O2-    8 d 0.0963(2) 0.1041(4) 0.0727(5) 1.  0 d
  O2    O2-    8 d 0.4189(2) 0.1163(5) 0.0990(5) 1.  0 d
  O3    O2-    8 d 0.7560(2) 0.1236(5) 0.0793(6) 1.  0 d
_refine_ls_R_factor_all            0.0273