#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/38/8103824.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_8103824
loop_
_publ_author_name
'Krivovichev, S.V.'
'Burns, P.C.'
_publ_section_title
;
 Structural topology of potassium uranyl chromates: crystal structures of
 K8 ((U O2) (Cr O4)4) (N O3)2, K5 ((U O2) (Cr O4)3) (NO3) (H2 O)3, K4 ((U
 O2)3 (Cr O4)5) (H2 O)8 and K2 ((U O2)2 (Cr O4)3(H2 O)2) (H2 O)4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              725
_journal_page_last               732
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            'Cr3 H6 K5 N O20 U'
_chemical_name_systematic        'K5 ((U O2) (Cr O4)3) (N O3) (H2 O)3'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.1112
_cell_length_b                   12.136
_cell_length_c                   27.464
_cell_volume                     2036.882
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Krivovichev_ZEKRDZ_2003_1141.cif
_cod_data_source_block           H6Cr3K5N1O20U1
_cod_original_formula_sum        'H6 Cr3 K5 N1 O20 U1'
_cod_database_code               8103824
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-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
K4 K+1 0.4641 0.68254 0.95933 1 0.0
O5 O-2 0.2775 0.8206 0.6336 1 0.0
O7 O-2 0.524 0.105 0.94359 1 0.0
K3 K+1 0.9828 0.65087 0.66069 1 0.0
O11 O-2 0.2675 0.9597 0.8118 1 0.0
Cr2 Cr+6 0.5917 0.98322 0.92328 1 0.0
K2 K+1 0.0137 0.82667 0.87555 1 0.0
O20 O-2 0.1707 0.6474 0.4626 1 0.0
K5 K+1 0.2035 0.8025 0.53622 1 0.0
O3 O-2 0.111 0.5471 0.9235 1 0.0
O10 O-2 0.5141 0.671 0.68411 1 0.0
O19 O-2 0.0124 0.7918 0.7362 1 0.0
O2 O-2 0.8051 0.5286 0.962 1 0.0
O6 O-2 0.4689 0.8803 0.718 1 0.0
O13 O-2 0.3469 0.3121 0.6961 1 0.0
O4 O-2 0.6888 0.9952 0.86573 1 0.0
O16 O-2 0.7115 0.8378 0.6378 1 0.0
O14 O-2 0.365 0.0977 0.72547 1 0.0
O17 O-2 0.7026 0.189 0.6744 1 0.0
O1 O-2 0.4571 0.8118 0.0411 1 0.0
U1 U+6 0.53203 0.99123 0.787952 1 0.0
O8 O-2 0.3199 0.1495 0.6321 1 0.0
O12 O-2 0.3825 0.902 0.9241 1 0.0
O9 O-2 0.7931 0.026 0.76444 1 0.0
Cr1 Cr+6 0.4935 0.80375 0.66811 1 0.0
O15 O-2 0.7866 0.9348 0.9572 1 0.0
O18 O-2 0.925 0.6241 0.5613 1 0.0
N1 N+5 -0.0414 0.5872 0.9483 1 0.0
Cr3 Cr+6 0.4405 0.18607 0.68168 1 0.0
K1 K+1 0.0113 0.98718 0.67578 1 0.0
