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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/9/01/15/9011579.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_9011579
loop_
_publ_author_name
'Angel, R. J.'
'Gasparik, T.'
'Ross, N. L.'
'Finger, L. W.'
'Prewitt, C. T.'
'Hazen, R. M.'
_publ_section_title
;
 A silica-rich sodium pyroxene phase with six-coordinated silicon
;
_journal_name_full               Nature
_journal_page_first              156
_journal_page_last               158
_journal_paper_doi               10.1038/335156a0
_journal_volume                  335
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_structural     Na(Mg0.5Si0.5)Si2O6
_chemical_formula_sum            'Mg Na2 O12 Si5'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.13
_cell_angle_gamma                90
_cell_length_a                   9.418
_cell_length_b                   8.647
_cell_length_c                   5.274
_cell_formula_units_Z            2
_cell_volume                     408.178
_database_code_amcsd             0014678
_exptl_crystal_density_diffrn    3.277
_cod_original_formula_sum        'Mg Si5 Na2 O12'
_cod_database_code               9011579
_amcsd_formula_title             Na(Mg0.5Si0.5)Si2O6
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,y,1/2-z
1/2+x,-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
MgM1 0.75000 0.65490 0.25000 0.00709
SiM1(1) 0.75000 0.84690 0.75000 0.00507
NaM2 0.75000 0.05130 0.25000 0.01051
NaM2(1) 0.75000 0.45670 0.75000 0.01646
SiT1 0.04470 0.84860 0.22700 0.00494
SiT2 0.03720 0.66520 0.73550 0.00507
O1(1) 0.86200 0.84430 0.10170 0.00633
O1(2) 0.85670 0.69340 0.65620 0.00583
O2(1) 0.12340 0.01460 0.30770 0.00722
O2(2) 0.09820 0.49500 0.79110 0.00861
O3(1) 0.11280 0.76650 0.01190 0.00735
O3(2) 0.09300 0.75270 0.50700 0.00722
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014678
