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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/8/10/37/8103760.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_8103760
loop_
_publ_author_name
'Krivovichev, S.V.'
'Burns, P.C.'
_publ_section_title
;
 Geometrical isomerism in uranyl chromates. I. Crystal structures of(U O2)
 (Cr O4) (H2 O)2, ((U O2) (Cr O4) (H2 O)2)(H2 O) and ((U O2) (Cr O4) (H2
 O)2)4 (H2 O)9
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              568
_journal_page_last               574
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            'Cr H6 O9 U'
_chemical_name_systematic        '((U O2) (H2 O)2 (Cr O4)) (H2 O)'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.388
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7206
_cell_length_b                   7.1617
_cell_length_c                   11.0909
_cell_volume                     771.434
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Krivovichev_ZEKRDZ_2003_1782.cif
_cod_data_source_block           H6Cr1O9U1
_cod_original_cell_volume        771.4338
_cod_original_formula_sum        'H6 Cr1 O9 U1'
_cod_database_code               8103760
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-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
Cr2 Cr+6 0.8952 0.2131 0.59311 1 0.0
O14 O-2 0.7704 0.901 0.8179 1 0.0
O10 O-2 0.0526 0.715 0.808 1 0.0
O5 O-2 0.6473 -0.005 0.1006 1 0.0
O2 O-2 0.834 0.6786 0.1231 1 0.0
O13 O-2 0.7846 0.5112 0.8222 1 0.0
O18 O-2 0.49 0.495 0.492 1 0.0
O9 O-2 0.5113 0.18 0.262 1 0.0
O15 O-2 0.7207 0.8827 0.3396 1 0.0
O4 O-2 0.9647 0.0231 0.6487 1 0.0
U1 U+6 0.66165 0.68199 0.16259 1 0.0
Cr1 Cr+6 0.5573 0.1817 0.12597 1 0.0
O11 O-2 0.9083 0.216 0.4442 1 0.0
O8 O-2 0.6483 0.3712 0.1004 1 0.0
O1 O-2 0.9742 0.3975 0.6555 1 0.0
U2 U+6 0.91934 0.70914 0.69656 1 0.0
O12 O-2 0.7366 0.218 0.6159 1 0.0
O3 O-2 0.7833 0.704 0.5826 1 0.0
O17 O-2 0.884 0.202 0.9362 1 0.0
O16 O-2 0.7073 0.4878 0.3428 1 0.0
O7 O-2 0.4116 0.1818 0.0367 1 0.0
O6 O-2 0.4916 0.684 0.2095 1 0.0
