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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/14/1521451.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_1521451
loop_
_publ_author_name
'Kranenberg, C.'
'Mewis, A.'
'Johrendt, D.'
_publ_section_title
;
 Untersuchungen zum Existenzgebiet des Ca Al2 Si2 Strukturtyps bei
 ternaeren Siliciden
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1787
_journal_page_last               1793
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'Al Gd Mn Si2'
_chemical_name_systematic        'Gd Al Mn Si2'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.977
_cell_length_b                   3.977
_cell_length_c                   10.643
_cell_volume                     168.335
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Kranenberg_ZAACAB_1999_827.cif
_cod_data_source_block           Al1Gd1Mn1Si2
_cod_original_cell_volume        168.3353
_cod_original_formula_sum        'Al1 Gd1 Mn1 Si2'
_cod_database_code               1521451
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,z+1/2
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
Gd1 Gd 0 0 0 1 0.0
Al1 Al 0 0.5 0.25 0.5 0.0
Si1 Si 0 0 0.3871 1 0.0
Mn1 Mn 0 0.5 0.25 0.5 0.0
