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#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/65/2106535.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2106535
loop_
_publ_author_name
'Kawamura, K.'
'Kawahara, A.'
_publ_section_title
;
 Crystal structure of synthetic copper sodium silicate: Cu3 Na2 (Si4 O12)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2419
_journal_page_last               2422
_journal_volume                  32
_journal_year                    1976
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu3 Na2 O12 Si4'
_chemical_name_systematic        'Cu3 Na2 (Si O3)4'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.519
_cell_length_b                   10.203
_cell_length_c                   13.567
_cell_volume                     1040.811
_citation_journal_id_ASTM        ACBCAR
_database_code_amcsd             0020110
_exptl_crystal_density_diffrn    3.452
_cod_data_source_file            Kawamura_ACBCAR_1976_361.cif
_cod_data_source_block           Cu3Na2O12Si4
_cod_database_code               2106535
_amcsd_formula_title             Cu3Na2(Si4O12)
loop_
_space_group_symop_operation_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O2 O-2 0.2898 0.3811 0.12 1 0.0
O5 O-2 0.3715 0.5928 0.4043 1 0.0
Cu2 Cu+2 0.25 0.25 0.4397 1 0.0
Si1 Si+4 0.2218 0.5218 0.3378 1 0.0
Cu3 Cu+2 0 0 0 1 0.0
Na2 Na+1 0.1872 0.75 0.4872 1 0.0
Si2 Si+4 0.32 0.535 0.1233 1 0.0
O4 O-2 0.2391 0.5298 0.2277 1 0.0
O1 O-2 0.2336 0.3702 0.3296 1 0.0
Cu1 Cu+2 0.2629 0.25 0.2186 1 0.0
O3 O-2 0.0291 0.5761 0.3804 1 0.0
O6 O-2 0.2171 0.6094 0.0344 1 0.0
Na1 Na+1 0.0319 0.75 0.1737 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020110
