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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/1/52/97/1529774.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_1529774
loop_
_publ_author_name
'Cordfunke, E.H.P.'
'van Vlaanderen, P.'
'Loopstra, B.O.'
'Goubitz, K.'
_publ_section_title
;
 Pentauranium(V) Chloride Dodecaoxide U5 O12 Cl
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              166
_journal_page_last               170
_journal_volume                  56
_journal_year                    1985
_chemical_formula_sum            'Cl O12 U5'
_chemical_name_systematic        'U5 O12 Cl'
_space_group_IT_number           51
_symmetry_space_group_name_Hall  '-P 2 2b'
_symmetry_space_group_name_H-M   'P b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.111
_cell_length_b                   19.625
_cell_length_c                   4.13
_cell_volume                     576.355
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Cordfunke_JSSCBI_1985_1167.cif
_cod_data_source_block           Cl1O12U5
_cod_original_cell_volume        576.3555
_cod_original_sg_symbol_Hall     '-P 2a 2a (z,x,y)'
_cod_original_formula_sum        'Cl1 O12 U5'
_cod_database_code               1529774
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y+1/2,-z
-x,y+1/2,-z
-x,-y,z
-x,-y,-z
-x,y-1/2,z
x,-y-1/2,z
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 0 0 0.5 0.0
O2 O-2 0.627 0.454 0 1 0.0
U3 U+5 0.2116 0.6457 0 1 0.0
U2 U+5 0.3296 0.0686 0 1 0.0
U1 U+5 0.2339 0.25 0 1 0.0
O3 O-2 0.096 0.356 0 1 0.0
O6 O-2 0.321 0.071 0.5 1 0.0
Cl2 Cl-1 0 0 0.203 0.25 0.0
O4 O-2 0.877 0.25 0 1 0.0
O1 O-2 0.47 0.326 0 1 0.0
O5 O-2 0.231 0.25 0.5 1 0.0
O7 O-2 0.208 0.646 0.5 1 0.0
