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#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/81/1008194.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_1008194
_chemical_name_systematic          'Cadmium tetrayttrium trimolybdenum oxide'
_chemical_formula_structural       'CD Y4 MO3 O16'
_chemical_formula_sum              'Cd Mo3 O16 Y4'
_publ_section_title
;
A structural study of cadmium yttrium molybdate Cd Y~4~ Mo~3~ O~16~
;
_space_group_IT_number           222
_symmetry_space_group_name_Hall  '-P 4a 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 n :2'
_[local]_cod_cif_authors_sg_H-M  'P n -3 n Z'
loop_
_publ_author_name
  'Bourdet, J B'
  'Chevalier, R'
  'Fournier, J P'
  'Kohlmuller, R'
  'Omaly, J'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    38
_journal_year                      1982
_journal_page_first                2371
_journal_page_last                 2374
_cell_length_a                     10.688(2)
_cell_length_b                     10.688(2)
_cell_length_c                     10.688(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1220.9
_cell_formula_units_Z              4
_exptl_crystal_density_meas        4.87
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,1/2-z'
  '1/2-x,y,1/2-z'
  '1/2-x,1/2-y,z'
  '1/2+x,1/2+z,1/2+y'
  '1/2+x,-z,-y'
  '-x,1/2+z,-y'
  '-x,-z,1/2+y'
  'y,z,x'
  '1/2-y,1/2-z,x'
  'y,1/2-z,1/2-x'
  '1/2-y,z,1/2-x'
  '1/2+z,1/2+y,1/2+x'
  '-z,-y,1/2+x'
  '1/2+z,-y,-x'
  '-z,1/2+y,-x'
  'z,x,y'
  '1/2-z,x,1/2-y'
  '1/2-z,1/2-x,y'
  'z,1/2-x,1/2-y'
  '1/2+y,1/2+x,1/2+z'
  '-y,1/2+x,-z'
  '-y,-x,1/2+z'
  '1/2+y,-x,-z'
  '-x,-y,-z'
  '-x,1/2+y,1/2+z'
  '1/2+x,-y,1/2+z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-z,1/2-y'
  '1/2-x,z,y'
  'x,1/2-z,y'
  'x,z,1/2-y'
  '-y,-z,-x'
  '1/2+y,1/2+z,-x'
  '-y,1/2+z,1/2+x'
  '1/2+y,-z,1/2+x'
  '1/2-z,1/2-y,1/2-x'
  'z,y,1/2-x'
  '1/2-z,y,x'
  'z,1/2-y,x'
  '-z,-x,-y'
  '1/2+z,-x,1/2+y'
  '1/2+z,1/2+x,-y'
  '-z,1/2+x,1/2+y'
  '1/2-y,1/2-x,1/2-z'
  'y,1/2-x,z'
  'y,x,1/2-z'
  '1/2-y,x,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  O2-   -2.000
  Mo6+   6.000
  Y3+    3.000
  Cd2+   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
  O1    O2-   48 i 0.3280(15) 0.0874(15) 0.8645(13) 1.  0 d
  O2    O2-   16 f 0.1196(12) 0.1196(12) 0.1196(12) 1.  0 d
  Mo1   Mo6+  12 d 0. 0.75 0.25 1.  0 d
  Y1    Y3+   12 e 0.0139(3) 0.25 0.25 1.  0 d
  Cd1   Cd2+   8 c 0. 0. 0. 0.5  0 d
  Y2    Y3+    8 c 0. 0. 0. 0.5  0 d
_refine_ls_R_factor_all            0.04
_cod_database_code 1008194
_journal_paper_doi 10.1107/S0567740882008826