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#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/06/1530647.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_1530647
loop_
_publ_author_name
'Rodier, N.'
'Tien, V.'
_publ_section_title
;
 Structure du sulfure mixte de calcium et de lutetium Ca Lu2 S4
;
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, 
Sciences Chimiques (1966-)
;
_journal_page_first              909
_journal_page_last               911
_journal_volume                  284
_journal_year                    1977
_chemical_formula_sum            'Ca Lu2 S4'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.767
_cell_length_b                   3.829
_cell_length_c                   12.958
_cell_volume                     633.450
_citation_journal_id_ASTM        CHDCAQ
_cod_data_source_file            Rodier_CHDCAQ_1977_115.cif
_cod_data_source_block           Ca1Lu2S4
_cod_original_cell_volume        633.4498
_cod_original_formula_sum        'Ca1 Lu2 S4'
_cod_database_code               1530647
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Lu2 Lu+3 0.35325 0.25 0.29733 1 0.0
S4 S-2 0.4651 0.25 0.1181 1 0.0
Lu1 Lu+3 0.39323 0.25 0.91678 1 0.0
S1 S-2 0.2816 0.25 0.7376 1 0.0
S3 S-2 0.0302 0.25 0.8801 1 0.0
S2 S-2 0.2426 0.25 0.4727 1 0.0
Ca1 Ca+2 0.1315 0.25 0.0839 1 0.0
