#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2002490.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_2002490
_chemical_name_systematic          'Copper(I) samarium ditungstate'
_chemical_formula_structural       'Cu Sm (W2 O8)'
_chemical_formula_sum              'Cu O8 Sm 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                     7.407(10)
_cell_length_b                     7.944(10)
_cell_length_c                     7.174(9)
_cell_angle_alpha                  114.99(10)
_cell_angle_beta                   116.31(4)
_cell_angle_gamma                  56.89(2)
_cell_volume                       307.7
_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
  Sm3+   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
  Sm1   Sm3+   2 i 0.1659(4) 0.2788(3) 0.1782(4) 1.  0 d
  W1    W6+    2 i 0.1867(3) 0.1121(3) 0.6514(3) 1.  0 d
  W2    W6+    2 i 0.7253(3) 0.2984(3) 0.2659(3) 1.  0 d
  Cu1   Cu1+   2 i 0.7047(6) 0.2897(6) 0.7589(6) 1.  0 d
  O1    O2-    2 i 0.102(6) 0.157(5) 0.388(5) 1.  0 d
  O2    O2-    2 i 0.807(5) 0.183(5) 0.519(5) 1.  0 d
  O3    O2-    2 i 0.182(5) 0.017(5) 0.861(5) 1.  0 d
  O4    O2-    2 i 0.472(5) 0.023(5) 0.715(5) 1.  0 d
  O5    O2-    2 i 0.085(5) 0.366(4) 0.820(5) 1.  0 d
  O6    O2-    2 i 0.438(5) 0.344(5) 0.181(5) 1.  0 d
  O7    O2-    2 i 0.779(5) 0.307(5) 0.046(5) 1.  0 d
  O8    O2-    2 i 0.286(5) 0.457(4) 0.543(3) 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
  Sm1   0.33(6) -0.09(5) 0.14(5) 0.28(6) 0.14(5) 0.49(7)
  W1    0.25(5) -0.12(4) 0.07(4) 0.28(5) 0.03(4) 0.20(5)
  W2    0.21(5) -0.07(4) 0.05(4) 0.22(5) 0.13(4) 0.30(6)
  Cu1   4.31(41) -0.13(29) 1.56(26) 1.99(30) 0.31(22) 1.05(24)
_refine_ls_R_factor_all            0.071
_cod_database_code 2002490