#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002400.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_2002400
_chemical_name_systematic          'Thallium samarium ditungstate - $-alpha'
_chemical_formula_structural       'Tl Sm (W2 O8)'
_chemical_formula_sum              'O8 Sm Tl W2'
_publ_section_title
;
Zur Kristallstruktur von $-alpha-Tl Sm W2 O8
;
loop_
_publ_author_name
  'Mumm, H-C'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften
(109,1978-)
;
_journal_volume                    118
_journal_year                      1987
_journal_page_first                1357
_journal_page_last                 1362
_cell_length_a                     10.77
_cell_length_b                     10.597
_cell_length_c                     7.597
_cell_angle_alpha                  90
_cell_angle_beta                   130.09
_cell_angle_gamma                  90
_cell_volume                       663.3
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  W6+    6.000
  Sm3+   3.000
  Tl1+   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+    8 f 0.6939(2) 0.9984(2) 0.2325(3) 1.  0 d
  Sm1   Sm3+   4 e 0. 0.2285(4) 0.25 1.  0 d
  Tl1   Tl1+   4 e 0. 0.7963(4) 0.25 1.  0 d
  O1    O2-    8 f 0.524(5) 0.893(3) 0.471(7) 1.  0 d
  O2    O2-    8 f 0.687(5) 0.929(3) 0.941(7) 1.  0 d
  O3    O2-    8 f 0.385(6) 0.582(4) 0.317(8) 1.  0 d
  O4    O2-    8 f 0.271(5) 0.657(4) 0.875(8) 1.  0 d
_refine_ls_R_factor_all            0.076