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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/25/7222513.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_7222513
loop_
_publ_author_name
'Lukachuk, M.'
'Zaremba, V.I.'
'Hoffmann, R.D.'
'Poettgen, R.'
_publ_section_title
;
 Synthesis and structural relationship of the ternary indides Sc3
 Ni2.10(5) In3.60(5), Sc3 Ni2.14(2) In3.76(2), Sc3 Rh1.594(9) In4
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              182
_journal_page_last               189
_journal_volume                  59
_journal_year                    2004
_chemical_formula_sum            'In Pd0.98 Sc'
_chemical_name_systematic        'Sc Pd0.98 In'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.641
_cell_length_b                   7.641
_cell_length_c                   3.459
_cell_volume                     174.897
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Lukachuk_ZNBSEN_2004_1307.cif
_cod_data_source_block           In1Pd0.98Sc1
_cod_original_cell_volume        174.8967
_cod_original_formula_sum        'In1 Pd0.98 Sc1'
_cod_database_code               7222513
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
y,x,z
x-y,-y,-z
-x,-x+y,z
y,x,-z
x-y,-y,z
-x,-x+y,-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
Sc1 Sc 0.6051 0 0 1 0.0
In1 In 0.27073 0 0.5 1 0.0
Pd2 Pd 0 0 0 0.942 0.0
Pd1 Pd 0.3333 0.6667 0.5 1 0.0
