#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/74/9017464.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_9017464
loop_
_publ_author_name
'Chen, Y.'
'Zhang, Y.'
'Feng, S.'
_publ_section_title
;
 Hydrothermal synthesis and properties of pigments
 Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7
;
_journal_name_full               'Dyes and Pigments'
_journal_page_first              167
_journal_page_last               173
_journal_volume                  105
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba Cu O6 Si2'
_chemical_name_mineral           Colinowensite
_space_group_IT_number           142
_space_group_name_Hall           '-I 4bd 2c'
_space_group_name_H-M_alt        'I 41/a c d :2'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.97511
_cell_length_b                   9.97511
_cell_length_c                   22.2887
_cell_formula_units_Z            16
_cell_volume                     2217.788
_database_code_amcsd             0020059
_exptl_crystal_density_diffrn    4.229
_cod_data_source_file            inputs/fixed/downloads/15/15051.cif
_cod_data_source_block           15051
_cod_original_cell_volume        2217.789
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        'Ba Cu Si2 O6'
_cod_database_code               9017464
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/4-y,3/4-x,3/4+z
3/4-y,1/4-x,1/4+z
1/4+y,3/4+x,3/4-z
3/4+y,1/4+x,1/4-z
1/4+y,3/4-x,1/4-z
3/4+y,1/4-x,3/4-z
1/4-y,3/4+x,1/4+z
3/4-y,1/4+x,3/4+z
1/2+x,-y,z
+x,1/2-y,1/2+z
1/2-x,y,-z
-x,1/2+y,1/2-z
1/2+x,y,1/2-z
+x,1/2+y,-z
1/2-x,-y,1/2+z
-x,1/2-y,+z
1/4+y,1/4+x,1/4+z
3/4+y,3/4+x,3/4+z
1/4-y,1/4-x,1/4-z
3/4-y,3/4-x,3/4-z
1/4-y,1/4+x,3/4-z
3/4-y,3/4+x,1/4-z
1/4+y,1/4-x,3/4+z
3/4+y,3/4-x,1/4+z
-x,y,1/2+z
1/2-x,1/2+y,+z
x,-y,1/2-z
1/2+x,1/2-y,-z
-x,-y,-z
1/2-x,1/2-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
Ba 0.25000 0.99020 0.50000 0.00063
Cu 0.00000 0.25000 0.06309 0.00076
Si 0.27760 0.75250 0.87600 0.00063
O1 0.20700 0.72100 0.81640 0.00114
O2 0.37400 0.87600 0.86070 0.00076
O3 0.31640 0.78030 0.06450 0.00025
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020059
