data_1001056
_chemical_name_systematic
;
Gadolinium tantalum tungsten oxide (0.1/0.2/0.8/3)
;
_chemical_formula_structural       'Gd.07 (Ta.21 W.79) O3'
_chemical_formula_sum              'Gd.07 O3 Ta.21 W.79'
_publ_section_title
;
Sur de nouvelles phases non stoechiometriques de type Perovskite Gd~x~
(Ta~3x~ W~1-3x~) O~3~
;
loop_
_publ_author_name
  'Desgardin, G'
  'Raveau, B'
_journal_name_full                 'Journal of Inorganic and Nuclear Chemistry'
_journal_coden_ASTM                JINCAO
_journal_volume                    34
_journal_year                      1972
_journal_page_first                509
_journal_page_last                 516
_cell_length_a                     5.326
_cell_length_b                     5.383
_cell_length_c                     3.786
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       108.5
_cell_formula_units_Z              2
_exptl_crystal_density_meas        7.45
_symmetry_space_group_name_H-M     'C m m m'
_symmetry_Int_Tables_number        65
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  'x,-y,-z'
  '-x,y,-z'
  '-x,-y,-z'
  'x,y,-z'
  '-x,y,z'
  'x,-y,z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2-y,z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Gd3+   3.000
  Ta5+   5.000
  W6+    6.000
  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
  Gd1   Gd3+   2 a 0. 0. 0. 0.07  0 d
  Ta1   Ta5+   2 c 0.5 0. 0.5 0.21  0 d
  W1    W6+    2 c 0.5 0. 0.5 0.79  0 d
  O1    O2-    2 b 0.5 0. 0. 1.  0 d
  O2    O2-    4 f 0.25 0.25 0.5 1.  0 d
_refine_ls_R_factor_all            0.087