#------------------------------------------------------------------------------
#$Date: 2015-10-09 13:24:34 +0200 (Fri, 09 Oct 2015) $
#$Revision: 161785 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/7/22/25/7222512.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_7222512
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            'In3.6 Ni2.1 Sc3'
_chemical_name_systematic        'Sc3 Ni2.1 In3.6'
_space_group_IT_number           174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.457
_cell_length_b                   7.457
_cell_length_c                   3.4285
_cell_volume                     165.106
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Lukachuk_ZNBSEN_2004_1306.cif
_cod_data_source_block           In3.6Ni2.1Sc3
_cod_original_cell_volume        165.1061
_cod_database_code               7222512
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
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 0.4126 0.0168 0 1 0.0
In2 In 0.7441 0.9996 0.5 1 0.0
Ni1 Ni 0 0 0 0.699 0.0
Ni3 Ni 0.3333 0.6667 0.5 0.65 0.0
In3 In 0.6667 0.3333 0.5 0.24 0.0
Ni2 Ni 0.6667 0.3333 0.5 0.76 0.0
In1 In 0.3333 0.6667 0.5 0.35 0.0
