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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/4/03/14/4031485.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_4031485
loop_
_publ_author_name
'Perrin, A.'
_publ_section_title
;
 Preparation, etude structurale et vibrationnelle des complexes M2 U2 O5
 Cl4 (H2 O)2 (M = Rb, Cs): Mise en evidence d'un anion tetranucleaire ((U
 O2)4 O2 Cl8 (H2 O)2)(4-)
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              1169
_journal_page_last               1172
_journal_volume                  39
_journal_year                    1977
_chemical_formula_sum            'Cl8 H8 O14 Rb4 U4'
_chemical_name_systematic        'Rb4 ((U O2)4 O2 Cl8 (H2 O)2) (H2 O)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.74
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.54
_cell_length_b                   8.096
_cell_length_c                   21.735
_cell_volume                     1395.870
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            Perrin_JINCAO_1977_150.cif
_cod_data_source_block           H8Cl8O14Rb4U4
_cod_original_cell_volume        1395.87
_cod_original_formula_sum        'H8 Cl8 O14 Rb4 U4'
_cod_database_code               4031485
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,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
Cl1 Cl-1 0.1541 0.2808 0.346 1 0.0
O6 O-2 0.5262 0.0581 0.1495 1 0.0
Cl2 Cl-1 0.4763 0.2498 0.2634 1 0.0
O4 O-2 0.4565 0.4206 0.1283 1 0.0
O7 O-2 0.7907 0.1758 0.1257 1 0.0
O3 O-2 0.1597 0.1173 0.1354 1 0.0
Cl4 Cl-1 0.137 0.4873 0.187 1 0.0
Cl3 Cl-1 0.2965 0.1393 0.0097 1 0.0
Rb2 Rb+1 0.8046 0.436 0.2401 1 0.0
U2 U+6 0.30199 0.27395 0.12944 1 0.0
O1 O-2 0.8939 0.2617 0.4273 1 0.0
U1 U+6 0.05736 0.11733 0.43888 1 0.0
Rb1 Rb+1 0.5642 0.244 0.436 1 0.0
O5 O-2 0.1079 0.4075 0.0485 1 0.0
O2 O-2 0.7752 0.4756 0.0523 1 0.0
