#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/78/9007898.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_9007898
loop_
_publ_author_name
'Cisarova, I.'
'Skala, R.'
'Ondrus, P.'
'Drabek, M.'
_publ_section_title
;
 Trigonal Na4[UO2(CO3)3]
 Note: synthetic polymorph of cejkaite
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i32
_journal_page_last               i34
_journal_paper_doi               10.1107/S1600536801005992
_journal_volume                  57
_journal_year                    2001
_chemical_formula_structural     Na4[UO2(CO3)3]
_chemical_formula_sum            'C3 Na4 O11 U'
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.3380
_cell_length_b                   9.3380
_cell_length_c                   12.8170
_cell_formula_units_Z            4
_cell_volume                     967.887
_database_code_amcsd             0010356
_exptl_crystal_density_diffrn    3.720
_cod_original_formula_sum        'Na4 U C3 O11'
_cod_database_code               9007898
_amcsd_formula_title             Na4[UO2(CO3)3]
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,1/2+z
y,-x+y,-z
-x,-x+y,1/2-z
-x+y,-x,z
-x+y,y,1/2+z
-x,-y,-z
y,x,1/2-z
-y,x-y,z
x,x-y,1/2+z
x-y,x,-z
x-y,-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na1 0.00000 0.00000 0.00000 0.02210
Na2 0.00000 0.00000 0.25000 0.02290
Na3 -0.12330 0.56880 0.12367 0.02950
U 0.33333 0.66667 0.13022 0.01212
C 0.07410 0.32790 0.12800 0.01710
O11 0.04620 0.45090 0.11860 0.02740
O12 0.22990 0.37710 0.14360 0.02830
O13 -0.03580 0.18050 0.12190 0.02350
O1 0.33333 0.66667 0.27140 0.02280
O2 0.33333 0.66667 -0.01100 0.02140
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010356
