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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/70/2107033.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107033
loop_
_publ_author_name
'Launay, S.'
'Rimsky, A.'
_publ_section_title
;
 Structure du Tris(tetraoxomolybdate) de Cadmium et de Thorium
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              910
_journal_page_last               912
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'Cd Mo3 O12 Th'
_chemical_name_systematic        'Cd Th (Mo O4)3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.803
_cell_length_b                   9.803
_cell_length_c                   6.35
_cell_volume                     528.472
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Launay_ACBCAR_1980_1025.cif
_cod_data_source_block           Cd1Mo3O12Th1
_cod_original_cell_volume        528.4725
_cod_original_formula_sum        'Cd1 Mo3 O12 Th1'
_cod_database_code               2107033
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cd1 Cd+2 0 0 0 1 0.0
O3 O-2 0.465 0.2491 0.4718 1 0.0
O2 O-2 0.4401 0.4879 0.25 1 0.0
O1 O-2 0.1818 0.1633 0.25 1 0.0
Th1 Th+4 0.3333 0.6667 0.25 1 0.0
Mo1 Mo+6 0.3883 0.2901 0.25 1 0.0
