data_1008960
_chemical_name_systematic          'Iron telluride (1.13/1)'
_chemical_formula_structural       'Fe1.125 Te'
_chemical_formula_sum              'Fe1.125 Te'
_publ_section_title
;
Structure antiferromagnetique de Fe1.125 Te accompagnee d'une
deformation monoclinique
;
loop_
_publ_author_name
  'Fruchart, D'
  'Convert, O'
  'Wolfers, P'
  'Madar, R'
  'Senateur, J P'
  'Fruchart, R'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    10
_journal_year                      1974
_journal_page_first                169
_journal_page_last                 174
_cell_length_a                     3.8245
_cell_length_b                     3.8245
_cell_length_c                     6.2818
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       91.9
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 4/n m m S'
_symmetry_Int_Tables_number        129
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,-z'
  '-x,y,z'
  'x,-y,z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
  '-y,x,-z'
  'y,-x,-z'
  '1/2-y,1/2+x,z'
  '1/2+y,1/2-x,z'
  'y,x,-z'
  '-y,-x,-z'
  '1/2+y,1/2+x,z'
  '1/2-y,1/2-x,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Fe0    0.000
  Te0    0.000
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   Fe0    2 a 0. 0. 0. 1.  0 d
  Fe2   Fe0    2 c 0.5 0. 0.561 0.125(2)  0 d
  Te1   Te0    2 c 0.5 0. 0.273 1.  0 d
_refine_ls_R_factor_all            0.033