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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/70/9007072.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_9007072
loop_
_publ_author_name
'Rakic, S.'
'Kahlenberg, V.'
'Weidenthaler, C.'
'Zibrowius, B.'
_publ_section_title
;
 Structural characterization of high-pressure C-Na2Si2O5
 by single-crystal diffraction and 29Si MAS NMR
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              477
_journal_page_last               484
_journal_paper_doi               10.1007/s00269-002-0259-1
_journal_volume                  29
_journal_year                    2002
_chemical_formula_structural     Na2Si2O5
_chemical_formula_sum            'Na2 O5 Si2'
_chemical_name_mineral           Natrosilite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.15
_cell_angle_gamma                90
_cell_length_a                   4.8521
_cell_length_b                   23.9793
_cell_length_c                   8.1410
_cell_formula_units_Z            8
_cell_volume                     947.202
_database_code_amcsd             0008657
_exptl_crystal_density_diffrn    2.555
_cod_original_formula_sum        'Na2 Si2 O5'
_cod_database_code               9007072
_amcsd_formula_title             Na2Si2O5
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na1 0.22990 0.26138 0.52470 0.02440
Na2 0.27430 0.51408 0.35480 0.02150
Na3 0.25340 0.47281 -0.10190 0.02250
Na4 0.75480 0.28108 0.27830 0.02290
Si1 0.29610 0.36325 0.19660 0.01460
Si2 0.68430 0.34077 0.64290 0.01450
Si3 0.18310 0.40821 0.53730 0.01450
Si4 0.79480 0.38941 -0.01850 0.01520
O1 0.12100 0.38440 0.03520 0.01950
O2 0.23390 0.30150 0.25230 0.01990
O3 0.62090 0.36900 0.14290 0.01840
O4 0.24400 0.41050 0.33920 0.01820
O5 0.74310 0.34140 -0.15900 0.01920
O6 0.74560 0.28190 0.56550 0.01840
O7 0.35730 0.35610 0.61620 0.01820
O8 -0.14230 0.39200 0.55970 0.01800
O9 0.24520 0.46670 0.61660 0.01830
O10 0.73360 0.45110 -0.07670 0.01950
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008657
