#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002489.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2002489
_chemical_name_systematic          'Copper(I) lanthanum ditungstate'
_chemical_formula_structural       'Cu La (W2 O8)'
_chemical_formula_sum              'Cu La O8 W2'
_publ_section_title
;
Ein Beitrag zur Kristallstruktur von Cu La W2 O8 und Cu Sm W2 O8
;
loop_
_publ_author_name
  'Boehlke, A'
  'Mueller-Buschbaum, Hk'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_volume                    162
_journal_year                      1990
_journal_page_first                141
_journal_page_last                 147
_cell_length_a                     7.593(17)
_cell_length_b                     8.081(22)
_cell_length_c                     7.270(25)
_cell_angle_alpha                  114.97(10)
_cell_angle_beta                   116.30(19)
_cell_angle_gamma                  56.49(6)
_cell_volume                       323.9
_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
  La3+   3.000
  W6+    6.000
  Cu1+   1.000
  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
  La1   La3+   2 i 0.1681(2) 0.2791(2) 0.1800(2) 1.  0 d
  W1    W6+    2 i 0.1859(1) 0.1072(1) 0.6488(1) 1.  0 d
  W2    W6+    2 i 0.7264(1) 0.2992(1) 0.2684(1) 1.  0 d
  Cu1   Cu1+   2 i 0.7047(6) 0.2897(6) 0.7589(6) 1.  0 d
  O1    O2-    2 i 0.082(2) 0.174(2) 0.391(2) 1.  0 d
  O2    O2-    2 i 0.818(3) 0.170(2) 0.514(2) 1.  0 d
  O3    O2-    2 i 0.187(3) 0.011(2) 0.853(2) 1.  0 d
  O4    O2-    2 i 0.471(3) 0.023(3) 0.709(3) 1.  0 d
  O5    O2-    2 i 0.089(2) 0.358(2) 0.821(2) 1.  0 d
  O6    O2-    2 i 0.446(3) 0.354(2) 0.187(3) 1.  0 d
  O7    O2-    2 i 0.772(3) 0.312(3) 0.050(3) 1.  0 d
  O8    O2-    2 i 0.277(3) 0.465(3) 0.546(3) 1.  0 d
_refine_ls_R_factor_all            0.058