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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/9/01/01/9010189.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_9010189
loop_
_publ_author_name
'Nestola, F.'
'Rotiroti, N.'
'Bruno, M.'
'Tribaudino, M.'
'van Smaalen, S.'
'Ohashi, H.'
'Redhammer, G. J.'
_publ_section_title
;
 Low-temperature behavior of NaGaSi2O6
 Sample: T = 145 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              560
_journal_page_last               569
_journal_paper_doi               10.2138/am.2007.2304
_journal_volume                  92
_journal_year                    2007
_chemical_formula_structural     NaGaSi2O6
_chemical_formula_sum            'Ga Na O6 Si2'
_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                 107.630
_cell_angle_gamma                90
_cell_length_a                   9.5453
_cell_length_b                   8.6864
_cell_length_c                   5.2662
_cell_formula_units_Z            4
_cell_volume                     416.135
_database_code_amcsd             0004310
_diffrn_ambient_temperature      145
_exptl_crystal_density_diffrn    3.909
_cod_original_formula_sum        'Na Ga Si2 O6'
_cod_database_code               9010189
_amcsd_formula_title             NaGaSi2O6
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_U_iso_or_equiv
Na 0.00000 0.30047 0.25000 0.00620
Ga 0.00000 0.90232 0.25000 0.00201
Si 0.29121 0.09129 0.23263 0.00206
O1 0.11187 0.07812 0.13369 0.00300
O2 0.35880 0.25936 0.30240 0.00390
O3 0.35303 0.00986 0.00795 0.00360
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004310
