#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (jue 25 de abr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/45/9004535.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9004535
loop_
_publ_author_name
'Finch, R. J.'
'Cooper, M. A.'
'Hawthorne, F. C.'
'Ewing, R. C.'
_publ_section_title
;
 Refinement of the crystal structure of rutherfordine
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              929
_journal_page_last               938
_journal_volume                  37
_journal_year                    1999
_chemical_formula_sum            'C O5 U'
_chemical_name_mineral           Rutherfordine
_space_group_IT_number           44
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.840
_cell_length_b                   9.273
_cell_length_c                   4.298
_cell_formula_units_Z            2
_cell_volume                     192.900
_database_code_amcsd             0005627
_exptl_crystal_density_diffrn    5.682
_cod_original_formula_sum        'U C O5'
_cod_database_code               9004535
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,z
1/2-x,1/2+y,1/2+z
-x,-y,z
1/2-x,1/2-y,1/2+z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
U 0.00550 0.03120 0.00760 0.00000 0.00000 0.00000
C 0.01200 0.02850 0.00970 0.00000 0.00000 0.00000
O1 0.03090 0.02790 0.02630 0.00000 0.00000 0.00270
O2 0.00830 0.04480 0.01660 0.00000 0.00390 0.00000
O3 0.01040 0.09790 0.00900 0.00000 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
U 0.00000 0.00000 0.00000
C 0.50000 0.00000 0.38640
O1 0.00000 -0.18800 -0.00490
O2 0.26380 0.00000 0.50660
O3 0.50000 0.00000 0.07950
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005627
