#------------------------------------------------------------------------------
#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/93/9009388.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_9009388
loop_
_publ_author_name
'Yang, Z.'
_publ_section_title
;
 Structure redetermination of natural cebaite-(Ce), Ba3Ce2(CO3)5F2
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              56
_journal_page_last               64
_journal_volume                  1995
_journal_year                    1995
_chemical_compound_source
'Bayan Obo REE-Nb-Fe deposit, Inner Mongolia, China'
_chemical_formula_sum            'C5 Ba3 Ce2 F2 O15'
_chemical_name_mineral           Cebaite-(Ce)
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.8
_cell_angle_gamma                90
_cell_length_a                   21.42
_cell_length_b                   5.078
_cell_length_c                   13.30
_cell_formula_units_Z            4
_cell_volume                     1441.577
_database_code_amcsd             0014872
_exptl_crystal_density_diffrn    4.747
_cod_original_cell_volume        1441.578
_cod_original_formula_sum        'Ba3 Ce2 C5 O15 F2'
_cod_database_code               9009388
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1 0.00000 0.00000 0.00000
Ba2 0.19280 0.00000 0.60060
Ba3 0.00000 0.50000 0.50000
Ba4 0.31300 0.00000 0.90470
Ce1 0.10510 0.00000 0.28740
Ce2 0.40020 0.00000 0.18540
C1 0.54160 0.00000 0.20110
C2 0.24560 0.00000 0.27550
C3 0.04790 0.00000 0.64500
C4 0.16020 0.00000 0.90360
C5 0.34940 0.00000 0.54080
O1 0.01220 0.27950 0.18510
O2 0.12140 0.28180 0.44150
O3 0.00980 0.00000 0.38560
O4 0.21600 0.21540 0.27520
O5 0.30690 0.00000 0.28230
O6 0.40060 0.00000 0.76630
O7 0.07740 0.22250 0.65830
O8 0.10240 0.00000 0.86960
O9 0.18970 0.22190 0.91660
O10 0.29440 0.00000 0.49720
F1 0.12510 0.00000 0.11270
F2 0.42690 0.00000 0.01460
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014872
