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#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/06/9010607.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_9010607
loop_
_publ_author_name
'Sokolova, E.'
'Hawthorne, F. C.'
'Ball, N. A.'
'Mitchell, R. H.'
'Della Ventura, G.'
_publ_section_title
;
 Vlasovite, Na2Zr(Si4O11), from the Kipawa alkaline complex, Quebec, Canada:
 Crystal-structure refinement and infrared spectroscopy
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1349
_journal_page_last               1356
_journal_paper_doi               10.2113/gscanmin.44.6.1349
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        'Kipawa alkaline complex, Quebec, Canada'
_chemical_formula_sum            'Na2 O11 Si4 Zr'
_chemical_name_mineral           Vlasovite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.313
_cell_angle_gamma                90
_cell_length_a                   11.0390
_cell_length_b                   10.0980
_cell_length_c                   8.5677
_cell_formula_units_Z            4
_cell_volume                     939.628
_database_code_amcsd             0006128
_exptl_crystal_density_diffrn    3.008
_cod_original_formula_sum        'Na2 Zr Si4 O11'
_cod_database_code               9010607
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na1 0.00000 0.07593 0.75000 1.00000 0.03040
Na2A 0.00000 0.39850 0.75000 0.82000 0.04480
Na2B 0.98510 0.43080 0.83400 0.09000 0.04480
Zr 0.25000 0.25000 0.00000 1.00000 0.01173
Si1 0.26448 0.07231 0.63875 1.00000 0.01306
Si2 0.04996 0.21676 0.42721 1.00000 0.01386
O1 0.00000 0.16001 0.25000 1.00000 0.02070
O2 0.14362 0.10274 0.50471 1.00000 0.02910
O3 0.11547 0.35857 0.41550 1.00000 0.02910
O4 0.05651 0.23057 0.97038 1.00000 0.02000
O5 0.23987 0.13443 0.80125 1.00000 0.02440
O6 0.28874 0.08336 0.14471 1.00000 0.01790
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006128
