#------------------------------------------------------------------------------
#$Date: 2015-10-09 17:20:14 +0200 (vie 09 de oct de 2015) $
#$Revision: 162385 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/42/4344249.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_4344249
loop_
_publ_author_name
'McCollum, B.C.'
'Dudis, D.S.'
'Lachgar, A.'
'Corbett, J.D.'
_publ_section_title
;
 The layered, metallic scandium iodide Sc0.93 I2: Synthesis, structure,
 and properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2030
_journal_page_last               2032
_journal_volume                  29
_journal_year                    1990
_chemical_formula_sum            'I2 Sc0.93'
_chemical_name_systematic        'Sc0.93 I2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.0851
_cell_length_b                   4.0851
_cell_length_c                   6.9824
_cell_volume                     100.912
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            McCollum_INOCAJ_1990_1639.cif
_cod_data_source_block           I2Sc0.93
_cod_original_cell_volume        100.9115
_cod_database_code               4344249
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,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
I1 I-1 0.3333 0.6667 0.25025 1 0.0
Sc1 Sc+2 0 0 0 0.919 0.0
