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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/26/9012687.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_9012687
loop_
_publ_author_name
'Voronkov, A. A.'
'Shumyatskaya, N. G.'
'Pyatenko, Y. A.'
_publ_section_title
;
 Crystal structure of a new natural modification of Na2Zr[Si2O7]
;
_journal_name_full               'Journal of Structural Chemistry'
_journal_page_first              866
_journal_page_last               867
_journal_paper_doi               10.1007/BF00743401
_journal_volume                  11
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Na2 O7 Si2 Zr'
_chemical_name_mineral           Parakeldyshite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.75
_cell_angle_beta                 94.25
_cell_angle_gamma                72.33
_cell_length_a                   6.66
_cell_length_b                   8.83
_cell_length_c                   5.42
_cell_formula_units_Z            2
_cell_volume                     302.756
_database_code_amcsd             0014056
_exptl_crystal_density_diffrn    3.350
_cod_original_formula_sum        'Na2 Zr Si2 O7'
_cod_database_code               9012687
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na1 0.87400 0.09900 0.26400
Na2 0.29900 0.49200 0.73800
Zr 0.28900 0.27100 0.22000
Si1 0.64200 0.14600 0.77200
Si2 0.93500 0.33600 0.68900
O1 0.29600 0.03700 0.17600
O2 0.88400 0.16900 0.74500
O3 0.49700 0.20600 0.52400
O4 0.55700 0.25200 0.02300
O5 0.00200 0.31600 0.39500
O6 0.12300 0.34000 0.88600
O7 0.30000 0.52000 0.23000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014056
