#------------------------------------------------------------------------------
#$Date: 2015-10-09 20:08:04 +0200 (Fri, 09 Oct 2015) $
#$Revision: 162733 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/53/1535396.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_1535396
loop_
_publ_author_name
'Mishra, R.'
'Hoffmann, R.D.'
'Poettgen, R.'
_publ_section_title
;
 Two- and three-dimensional (Ir Si) networks in the silicides Sm3 Ir2 Si2,
 Ho Ir Si and Yb Ir Si
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1787
_journal_page_last               1792
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Ir2 Si2 Sm3'
_chemical_name_systematic        'Sm3 Ir2 Si2'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.0969
_cell_length_b                   10.5932
_cell_length_c                   13.2753
_cell_volume                     576.138
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mishra_ZAACAB_2001_123.cif
_cod_data_source_block           Ir2Si2Sm3
_cod_original_cell_volume        576.1385
_cod_database_code               1535396
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-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
Ir2 Ir 0 0.81472 0.25 1 0.0
Sm2 Sm 0 0.5176 0.25 1 0.0
Si1 Si 0 0.9393 0.0888 1 0.0
Ir1 Ir 0 0.5 0 1 0.0
Sm1 Sm 0 0.22592 0.10393 1 0.0
