#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002526.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_2002526
_chemical_name_systematic          'Copper yttrium ditungsten octaoxide'
_chemical_formula_structural       'Cu Y W2 O8'
_chemical_formula_sum              'Cu O8 W2 Y'
_publ_section_title
;
Ein Beitrag zur Kristallstruktur von Cu Y W2 O8, Cu Ho W2 O8 und Cu Yb
W2 O8
;
loop_
_publ_author_name
  'Mueller-Buschbaum, Hk'
  'Krueger, T'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    607
_journal_year                      1992
_journal_page_first                52
_journal_page_last                 56
_cell_length_a                     5.939(2)
_cell_length_b                     6.042(2)
_cell_length_c                     5.025(2)
_cell_angle_alpha                  112.30(1)
_cell_angle_beta                   92.84(1)
_cell_angle_gamma                  111.77(1)
_cell_volume                       151.1
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P 1'
_symmetry_Int_Tables_number        1
_symmetry_cell_setting             triclinic
_symmetry_equiv_pos_as_xyz         'x,y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  W6+    6.000
  Y3+    3.000
  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
  W1    W6+    1 a 0.0378 0.6125 0.3775 1.  0 d
  W2    W6+    1 a 0.3828(2) 0.5789(2) 0.8749(2) 1.  0 d
  Y1    Y3+    1 a 0.7507(4) 0.1037(4) 0.7059(5) 1.  0 d
  Cu1   Cu1+   1 a 0.2038(12) 0.0928(10) 0.1258(13) 1.  0 d
  O1    O2-    1 a 0.9192(18) 0.8457(18) 0.5909(18) 1.  0 d
  O2    O2-    1 a 0.7920(18) 0.3602(18) 0.0704(18) 1.  0 d
  O3    O2-    1 a 0.3832(18) 0.7773(18) 0.6526(19) 1.  0 d
  O4    O2-    1 a 0.2654(18) 0.4094(18) 0.0999(19) 1.  0 d
  O5    O2-    1 a 0.0349(16) 0.3938(16) 0.5848(17) 1.  0 d
  O6    O2-    1 a 0.2332(17) 0.8200(17) 0.1969(18) 1.  0 d
  O7    O2-    1 a 0.4926(18) 0.3578(18) 0.6294(19) 1.  0 d
  O8    O2-    1 a 0.6829(18) 0.8440(18) 0.0870(19) 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_B_11
_atom_site_aniso_B_12
_atom_site_aniso_B_13
_atom_site_aniso_B_22
_atom_site_aniso_B_23
_atom_site_aniso_B_33
  W1    0.49(3) -0.22(3) -0.13(3) 1.01(4) 0.54(3) 1.26(4)
  W2    0.57(3) -0.29(3) -0.07(3) 1.05(4) 0.56(3) 1.33(4)
  Y1    0.59(5) 0.07(4) 0.18(4) 0.35(5) 0.05(5) 1.29(6)
  Cu1   2.90(9) 1.49(6) 1.23(7) 1.14(6) 1.14(6) 2.54(8)
_refine_ls_R_factor_all            0.056