data_1008036
_chemical_name_systematic          'COPPER TUNGSTATE'
_chemical_formula_structural       'CU W O4'
_chemical_formula_sum              'Cu O4 W'
_publ_section_title
;
Pernod - ein Programm zur Verfeinerung von Kristall-Strukturparametern
aus Neutronenbeugungspulverdiagrammen
;
loop_
_publ_author_name
  'Klein, S'
  'Weitzel, H'
_journal_name_full                 'Journal of Applied Crystallography'
_journal_coden_ASTM                JACGAR
_journal_volume                    8
_journal_year                      1975
_journal_page_first                54
_journal_page_last                 59
_cell_length_a                     4.6964(9)
_cell_length_b                     5.8287(10)
_cell_length_c                     4.8736(7)
_cell_angle_alpha                  91.63(1)
_cell_angle_beta                   92.44(1)
_cell_angle_gamma                  82.79(1)
_cell_volume                       132.2
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cu2+   2.000
  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
  Cu1   Cu2+   2 i 0.4962(9) 0.6621(7) 0.2362(9) 1.  0 d
  W1    W6+    2 i 0.0166(13) 0.1745(9) 0.2670(12) 1.  0 d
  O1    O2-    2 i 0.2481(13) 0.3556(10) 0.4171(14) 1.  0 d
  O2    O2-    2 i 0.2243(10) 0.8769(8) 0.4324(11) 1.  0 d
  O3    O2-    2 i 0.7293(11) 0.3859(9) 0.0956(12) 1.  0 d
  O4    O2-    2 i 0.7845(11) 0.9036(9) 0.0512(11) 1.  0 d
_refine_ls_R_factor_all            0.059