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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/1/53/04/1530442.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_1530442
loop_
_publ_author_name
'Morss, L.R.'
'Fujino, T.'
_publ_section_title
;
 Preparation and crystal structures of plutonium(IV) hexachloro complexes,
 Rb2 Pu Cl6 and K2 Pu Cl6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              338
_journal_page_last               352
_journal_volume                  72
_journal_year                    1988
_chemical_formula_sum            'Cl6 Pu Rb2'
_chemical_name_systematic        'Rb2 Pu Cl6'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.377
_cell_length_b                   7.377
_cell_length_c                   11.88
_cell_volume                     559.895
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Morss_JSSCBI_1988_1571.cif
_cod_data_source_block           Cl6Pu1Rb2
_cod_original_formula_sum        'Cl6 Pu1 Rb2'
_cod_database_code               1530442
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
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-y,z
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 0.1464 -0.1464 0.3523 1 0.0
Rb1 Rb+1 0.33333 0.66667 0.8805 1 0.0
Cl2 Cl-1 0.4972 -0.4972 0.1092 1 0.0
Rb2 Rb+1 0 0 0.5943 1 0.0
Pu1 Pu+4 0.33333 0.66667 0.25 1 0.0
