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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/9/01/13/9011381.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_9011381
loop_
_publ_author_name
'Sato, A.'
'Osawa, T.'
'Ohashi, H.'
_publ_section_title
;
 Low-temperature form of LiGaSi2O6
 Sample: T = 273 K
 Note: anisoU's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1959
_journal_page_last               1960
_journal_paper_doi               10.1107/S0108270195004732
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_structural     LiGaSi2O6
_chemical_formula_sum            'Ga Li O6 Si2'
_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                 110.124
_cell_angle_gamma                90
_cell_length_a                   9.5394
_cell_length_b                   8.5756
_cell_length_c                   5.2508
_cell_formula_units_Z            4
_cell_volume                     403.324
_database_code_amcsd             0010302
_diffrn_ambient_temperature      273
_exptl_crystal_density_diffrn    3.769
_cod_original_formula_sum        'Li Ga Si2 O6'
_cod_database_code               9011381
_amcsd_formula_title             LiGaSi2O6
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
Li 0.24790 0.01250 0.23700 0.01600
Ga 0.25033 0.65098 0.23963 0.00407
SiA 0.04726 0.34077 0.26830 0.00410
SiB 0.54799 0.84060 0.25250 0.00400
O1A 0.86400 0.33260 0.15340 0.00480
O2A 0.11480 0.51210 0.31320 0.00750
O3A 0.10810 0.26230 0.56880 0.00700
O1B 0.36450 0.83360 0.13400 0.00520
O2B 0.61890 0.00850 0.34310 0.00760
O3B 0.60640 0.73070 0.52100 0.00860
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010302
