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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/08/1530864.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_1530864
loop_
_publ_author_name
'Tat'yanina, I.V.'
'Chernaya, T.S.'
'Gorchenkova, E.A.'
'Spitsyn, V.I.'
'Simonov, V.I.'
_publ_section_title
;
 Crystal structure of the U(IV) heteromolybdate Cu H6 (U Mo12 O42) (H2
 O)12
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1162
_journal_page_last               1165
_journal_volume                  247
_journal_year                    1979
_chemical_formula_sum            'Cu H30 Mo12 O54 U'
_chemical_name_systematic        'Cu H6 (U Mo12 O42) (H2 O)12'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                78.5
_cell_angle_beta                 78.5
_cell_angle_gamma                78.5
_cell_formula_units_Z            1
_cell_length_a                   10.554
_cell_length_b                   10.554
_cell_length_c                   10.554
_cell_volume                     1113.146
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Tatyanina_DANKAS_1979_473.cif
_cod_data_source_block           H30Cu1Mo12O54U1
_cod_original_sg_symbol_Hall     '-R 3 (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'H30 Cu1 Mo12 O54 U1'
_cod_database_code               1530864
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-x,-y,-z
-z,-x,-y
-y,-z,-x
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
Cu1 Cu+2 0.5 0.5 0.5 1 0.0
O8 O-2 0.5573 0.3116 0.4547 1 0.0
O9 O-2 0.923 0.393 0.488 1 0.0
O4 O-2 0.4216 0.0124 -0.0825 1 0.0
O3 O-2 0.2092 -0.0171 0.0818 1 0.0
U1 U+4 0 0 0 1 0.0
O5 O-2 0.2067 0.0287 -0.1634 1 0.0
O1 O-2 0.3183 0.2194 0.0646 1 0.0
O2 O-2 0.3125 0.2684 -0.1909 1 0.0
O6 O-2 0.4105 -0.242 0.0541 1 0.0
O7 O-2 0.4112 -0.1991 -0.2037 1 0.0
Mo1 Mo+6 0.1462 0.0624 0.6679 1 0.0
Mo2 Mo+6 0.8359 0.0559 0.7298 1 0.0
