data_2002721
_chemical_name_systematic          'Dicerium tris(tungstate)'
_chemical_formula_structural       'Ce2 (W O4)3'
_chemical_formula_sum              'Ce2 O12 W3'
_publ_section_title                'Zur Kristallstruktur von Ce2 (W O4)3'
loop_
_publ_author_name
  'Gressling, T'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_volume                    50
_journal_year                      1995
_journal_page_first                1513
_journal_page_last                 1516
_cell_length_a                     7.813(3)
_cell_length_b                     11.72
_cell_length_c                     11.58
_cell_angle_alpha                  90
_cell_angle_beta                   109.36(3)
_cell_angle_gamma                  90
_cell_volume                       1000.4
_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
  Ce3+   3.000
  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
  Ce1   Ce3+   8 f 0.321210(8) 0.373360(5) 0.404850(5) 1.  0 d
  W1    W6+    4 e 0. 0.118370(6) 0.25 1.  0 d
  W2    W6+    8 f 0.154250(6) 0.354710(4) 0.047910(4) 1.  0 d
  O1    O2-    8 f 0.01292(13) 0.04042(8) 0.38739(8) 1.  0 d
  O2    O2-    8 f 0.19153(15) 0.20562(10) 0.27808(10) 1.  0 d
  O3    O2-    8 f 0.07174(12) 0.30076(10) 0.46200(9) 1.  0 d
  O4    O2-    8 f 0.2184(2) 0.42648(11) 0.19150(9) 1.  0 d
  O5    O2-    8 f 0.13829(14) 0.53699(9) 0.44016(9) 1.  0 d
  O6    O2-    8 f 0.38305(14) 0.28577(10) 0.07645(10) 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Ce1   0.00197(2) -0.00024 -0.00030(1) 0.00219(2) 0.00017(2) 0.00129(2)
  W1    0.00424(2) 0. 0.00030(1) 0.00427(2) 0. 0.00075(2)
  W2    0.00227(1) -0.00008 0.00079(1) 0.00259(2) 0.00036(1) 0.00314(1)
  O1    0.0074(3) 0.0007(3) -0.0006(2) 0.0037(3) -0.0013(2) 0.0026(2)
  O2    0.0092(3) -0.0028(3) 0.0014(3) 0.0102(4) -0.0035(3) 0.0104(3)
  O3    0.0047(3) 0.0006(3) 0.0030(2) 0.0097(3) -0.0001(3) 0.0077(3)
  O4    0.0134(3) -0.0004(3) 0.0011(2) 0.0114(4) -0.0033(3) 0.0031(3)
  O5    0.0092(3) 0.0006(3) 0.0013(2) 0.0083(3) -0.0023(3) 0.0041(3)
  O6    0.0056(3) 0.0002(3) 0.0005(2) 0.0080(3) -0.0042(3) 0.0096(3)
_refine_ls_R_factor_all            0.063