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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/7/22/27/7222790.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_7222790
loop_
_publ_author_name
'Kraft, R.'
'Poettgen, R.'
_publ_section_title
;
 Ternary Thallides REMgTl (RE = Y, La-Nd, Sm, Gd-Tm, Lu)
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              265
_journal_page_last               270
_journal_volume                  60
_journal_year                    2005
_chemical_formula_sum            'Mg Tl Y'
_chemical_name_systematic        'Y Mg Tl'
_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                   7.505
_cell_length_b                   7.505
_cell_length_c                   4.5985
_cell_volume                     224.310
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Kraft_ZNBSEN_2005_1799.cif
_cod_data_source_block           Mg1Tl1Y1
_cod_original_cell_volume        224.3098
_cod_original_formula_sum        'Mg1 Tl1 Y1'
_cod_database_code               7222790
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
Tl2 Tl 0.3333 0.6667 0.5 1 0.0
Y1 Y 0.5712 0 0 1 0.0
Tl1 Tl 0 0 0 1 0.0
Mg1 Mg 0.2442 0 0.5 1 0.0
