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#$Date: 2016-09-18 20:34:50 +0300 (Sun, 18 Sep 2016) $
#$Revision: 186638 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/82/1528299.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_1528299
loop_
_publ_author_name
'Alcock, N.W.'
_publ_section_title
;
 The Crystal and Molecular Structure of Sodium Uranyl Triperoxide
;
_journal_name_full
;
Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)
;
_journal_page_first              1588
_journal_page_last               1594
_journal_volume                  1968
_journal_year                    1968
_chemical_formula_sum            'H18 Na4 O17 U'
_chemical_name_systematic        'Na4 (U O2 (O2)3) (H2 O)9'
_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                 98.52
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.413
_cell_length_b                   17.292
_cell_length_c                   14.186
_cell_volume                     1555.776
_citation_journal_id_ASTM        JCSIAP
_cod_data_source_file            Alcock_JCSIAP_1968_330.cif
_cod_data_source_block           H18Na4O17U1
_cod_original_formula_sum        'H18 Na4 O17 U1'
_cod_database_code               1528299
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
_atom_site_attached_hydrogens
O4 O-1 0.11 0.1189 0.3638 1 0.0 0
Na1 Na+1 0.4729 0.7461 0.3985 1 0.0 0
O11 O-2 0.5406 0.1536 0.7937 1 0.0 2
O17 O-2 0.745 0.0207 0.9908 1 0.0 2
O12 O-2 0.6711 0.2616 0.9461 1 0.0 2
O9 O-2 0.2631 0.1485 0.5752 1 0.0 2
Na3 Na+1 0.4811 0.1461 0.3525 1 0.0 0
Na4 Na+1 0.3959 0.0482 0.6778 1 0.0 0
O3 O-1 0.0538 0.2044 0.3967 1 0.0 0
O5 O-1 0.0671 0.0767 0.1638 1 0.0 0
O2 O-2 -0.269 0.1732 0.2317 1 0.0 0
O13 O-2 0.7314 0.0519 0.6102 1 0.0 2
O6 O-1 -0.01 0.1303 0.0864 1 0.0 0
Na2 Na+1 0.4099 0.4385 0.4037 1 0.0 0
O7 O-1 -0.106 0.2957 0.154 1 0.0 0
O16 O-2 0.473 0.0436 0.2056 1 0.0 2
O8 O-1 -0.104 0.3164 0.2522 1 0.0 0
O15 O-2 0.1232 0.4519 0.284 1 0.0 2
O10 O-2 0.2916 0.1718 0.9879 1 0.0 2
O14 O-2 0.7317 0.0569 0.4149 1 0.0 2
O1 O-2 0.3037 0.2105 0.239 1 0.0 0
U1 U+6 0.0091 0.1923 0.233 1 0.0 0
