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#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/15/1531597.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_1531597
loop_
_publ_author_name
'Krendelsberger, N.'
'Gulay, L.D.'
'Weitzer, F.'
'Hiebl, K.'
'Schuster, J.C.'
_publ_section_title
;
 The crystal structure and physical properties of tau1-(Al2 Mn2 Si3)
 compound
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              67
_journal_page_last               72
_journal_volume                  336
_journal_year                    2002
_chemical_formula_sum            'Al1.873 Mn1.85 Si2.87'
_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            3
_cell_length_a                   9.6121
_cell_length_b                   9.6121
_cell_length_c                   3.564
_cell_volume                     285.171
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Krendelsberger_JALCEU_2002_443.cif
_cod_data_source_block           Al1.873Mn1.85Si2.87
_cod_original_cell_volume        285.1707
_cod_database_code               1531597
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
Al2 Al 0.6667 0.3333 0.5 1 0.0
Mn1 Mn 0.1502 0.1872 0.5 1 0.0
Al4 Al 0 0 0 0.62 0.0
Al3 Al 0.3333 0.6667 0 1 0.0
Si2 Si 0.1353 0.3819 0 1 0.0
Si1 Si 0.325 0.0757 0.5 1 0.0
Mn2 Mn 0.5181 0.1386 0 0.849 0.0
Si3 Si 0.3509 0.265 0 0.869 0.0
Al1 Al 0.0544 0.5689 0.5 1 0.0
