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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/9/00/78/9007841.cif $
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#
# 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_9007841
loop_
_publ_author_name
'Leal-Gonzalez J'
'Melibary, S. S.'
'Smith, A. J.'
_publ_section_title
;
 Structure of lithium gallium sulfide, LiGaS2
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2017
_journal_page_last               2019
_journal_paper_doi               10.1107/S0108270190002165
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     LiGaS2
_chemical_formula_sum            'Ga Li S2'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.519
_cell_length_b                   7.872
_cell_length_c                   6.238
_cell_formula_units_Z            4
_cell_volume                     320.119
_database_code_amcsd             0010203
_exptl_crystal_density_diffrn    2.921
_cod_original_formula_sum        'Li Ga S2'
_cod_database_code               9007841
_amcsd_formula_title             LiGaS2
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,1/2+z
-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Li 0.41780 0.14450 0.12550
Ga 0.07360 0.12710 0.61350
S1 0.09510 0.63510 0.00650
S2 0.06590 0.11530 0.98790
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010203
