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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/29/9012900.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_9012900
loop_
_publ_author_name
'Nicheng, S.'
'Zhesheng, M.'
'Zhizhong, P.'
_publ_section_title
;
 The crystal structure of carbocernaite
;
_journal_name_full               'Kexue Tongbao'
_journal_page_first              76
_journal_page_last               80
_journal_volume                  27
_journal_year                    1982
_chemical_compound_source        'deposits of the Bayan Obo, Baotou, China'
_chemical_formula_sum            'C2 Ba0.11 Ca0.74 Ce0.4 Na0.26 O6 Sr0.44'
_chemical_name_mineral           Carbocernaite
_space_group_IT_number           26
_symmetry_space_group_name_Hall  'P 2c -2'
_symmetry_space_group_name_H-M   'P m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.26
_cell_length_b                   6.40
_cell_length_c                   7.34
_cell_formula_units_Z            2
_cell_volume                     247.094
_database_code_amcsd             0014176
_exptl_crystal_density_diffrn    3.567
_cod_original_formula_sum        'Sr.44 Ce.4 Ba.11 (Ca.74 Na.26) C2 O6'
_cod_database_code               9012900
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
-x,y,z
-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Sr 0.00000 0.11680 0.25550 0.44000 0.01786
Ce 0.00000 0.11680 0.25550 0.40000 0.01786
Ba 0.00000 0.11680 0.25550 0.11000 0.01786
Ca 0.50000 0.48440 0.54950 0.74000 0.02356
Na 0.50000 0.48440 0.54950 0.26000 0.02356
C1 0.00000 0.41760 0.84360 1.00000 0.01203
C2 0.50000 0.03430 0.57820 1.00000 0.02128
O1 0.20970 0.49070 0.29510 1.00000 0.02558
O2 0.28500 0.12880 0.54520 1.00000 0.03154
O3 0.00000 0.23130 0.92040 1.00000 0.03990
O4 0.50000 0.14330 0.14620 1.00000 0.03318
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014176
