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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/1/53/40/1534063.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_1534063
loop_
_publ_author_name
'Llanos, J.'
'Mujica, C.'
'Sanchez, V.'
'Schnelle, W.'
'Cardoso-Gil, R.'
_publ_section_title
;
 Sm Cu S2: crystal structure refinement, electrical, optical and magnetic
 properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1388
_journal_page_last               1392
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Cu S2 Sm'
_chemical_name_systematic        'Sm (Cu S2)'
_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                 98.353
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.4715
_cell_length_b                   7.1082
_cell_length_c                   6.7796
_cell_volume                     308.558
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Llanos_JSSCBI_2004_1658.cif
_cod_data_source_block           Cu1S2Sm1
_cod_original_cell_volume        308.5581
_cod_original_formula_sum        'Cu1 S2 Sm1'
_cod_database_code               1534063
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
S1 S-2 0.57828 0.27193 0.0003 1 0.0
Sm1 Sm+3 0.30683 0.05142 0.19725 1 0.0
S2 S-2 0.08924 0.38443 0.28228 1 0.0
Cu1 Cu+1 0.08809 0.65574 0.06171 1 0.0
