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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/09/9000916.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_9000916
loop_
_publ_author_name
'Shen, J.'
'Moore, P. B.'
_publ_section_title
;
 Crystal structure of cappelenite, Ba(Y,RE)6[Si3B6O24]F2: a silicoborate
 sheet structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              190
_journal_page_last               195
_journal_volume                  69
_journal_year                    1984
_chemical_formula_sum            'B6 Ba F2 O24 Si3 Y6'
_chemical_name_mineral           Cappelenite-(Y)
_space_group_IT_number           143
_symmetry_space_group_name_Hall  'P 3'
_symmetry_space_group_name_H-M   'P 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.67
_cell_length_b                   10.67
_cell_length_c                   4.680
_cell_formula_units_Z            1
_cell_volume                     461.429
_database_code_amcsd             0000935
_exptl_crystal_density_diffrn    4.469
_cod_original_formula_sum        'Ba Y6 Si3 B6 O24 F2'
_cod_database_code               9000916
loop_
_space_group_symop_operation_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ba 0.00000 0.00000 0.00000 ?
Y1 0.21550 0.43110 0.94010 ?
Y2 0.43200 0.21610 0.97220 ?
Si 0.00880 0.50490 0.41000 ?
B1 0.25500 0.25500 0.47400 ?
B2 0.00300 0.25400 0.47500 ?
O1 0.37100 0.38700 0.63000 ?
O2 0.01800 0.38700 0.63100 ?
O3 0.57200 0.42800 0.23600 ?
O4 0.42600 0.57300 0.19700 ?
O5 0.28100 0.14000 0.60000 ?
O6 0.11200 0.22700 0.61900 ?
O7 0.26000 0.26200 0.18600 ?
O8 0.00100 0.26500 0.18800 ?
F1 0.33333 0.66667 0.73500 0.01444
F2 0.66667 0.33333 0.78300 0.01191
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000935
