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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/15/1531591.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1531591
loop_
_publ_author_name
'Isaenko, L.'
'Yelisseyev, A.'
'Smirnova, J.'
'Petrov, V.'
'Titov, A.'
'Lobanov, S.'
'Zondy, J.J.'
'Vedenyapin, V.'
'Merkulov, A.'
'Krinitsin, P.'
_publ_section_title
;
 Growth and properties of Li Ga X2 (X = S, Se, Te) single crystals for
 nonlinear optical applications in the mid-IR
;
_journal_name_full               'Crystal Research and Technology'
_journal_page_first              379
_journal_page_last               387
_journal_volume                  38
_journal_year                    2003
_chemical_formula_sum            'Ga Li Se2'
_chemical_name_systematic        'Li Ga Se2'
_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_formula_units_Z            4
_cell_length_a                   6.832
_cell_length_b                   8.237
_cell_length_c                   6.535
_cell_volume                     367.758
_citation_journal_id_ASTM        CRTEDF
_cod_data_source_file            Isaenko_CRTEDF_2003_1814.cif
_cod_data_source_block           Ga1Li1Se2
_cod_original_cell_volume        367.7583
_cod_original_formula_sum        'Ga1 Li1 Se2'
_cod_database_code               1531591
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Li1 Li+1 0.41 0.878 0.118 1 0.0
Se1 Se-2 -0.0936 0.6348 0.5064 1 0.0
Se2 Se-2 0.0661 0.8814 0.9907 1 0.0
Ga1 Ga+3 0.073 0.8741 0.6229 1 0.0
