#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/09/1510919.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_1510919
loop_
_publ_author_name
'Jung, W.'
'Kluenter, W.'
_publ_section_title
;
 Sn5 Ir6 B2 und Sn4 Ir7 B3: Zinn-Iridiumboride mit eindimensionalen
 Ir/B-Verbaenden
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              670
_journal_page_last               674
_journal_paper_doi               10.1002/zaac.19966220416
_journal_volume                  622
_journal_year                    1996
_chemical_formula_sum            'B3 Ir7 Sn4'
_chemical_name_systematic        'Sn4 Ir7 B3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.2663
_cell_length_b                   9.2663
_cell_length_c                   5.6319
_cell_volume                     418.792
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron_448.cif
_cod_data_source_block           B3Ir7Sn4
_cod_original_cell_volume        418.7919
_cod_database_code               1510919
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-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 0.2313 0.8747 0.9987 1 0.0
Sn1 Sn 0.6667 0.3333 0.25 1 0.0
Sn2 Sn 0.4975 0.9088 0.25 1 0.0
B1 B 0.173 0.219 0.75 1 0.0
Ir1 Ir 0 0 0 1 0.0
