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#$Date: 2015-07-10 16:19:07 +0300 (Fri, 10 Jul 2015) $
#$Revision: 142568 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/23/1522346.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_1522346
loop_
_publ_author_name
'Zinkevitch, M.'
'Mattern, N.'
'Gebel, B.'
'Wetzig, K.'
_publ_section_title
;
 Phase transformations of the Gd - Fe - Mo ternary compounds with Th Mn12
 - type structure under nitrogen atmosphere
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              226
_journal_page_last               236
_journal_volume                  298
_journal_year                    2000
_chemical_formula_sum            'Fe9.04 Gd1.2 Mo2 N1.03'
_chemical_name_systematic        'Gd1.2 Fe9.04 Mo2 N1.03'
_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                   8.688
_cell_length_b                   8.688
_cell_length_c                   4.848
_cell_volume                     365.934
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Zinkevitch_JALCEU_2000_1279.cif
_cod_data_source_block           Fe9.04Gd1.2Mo2N1.03
_cod_original_cell_volume        365.9335
_cod_database_code               1522346
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
Fe2 Fe 0.2774 0.5 0 0.89 0.0
N1 N 0 0 0.5 1.03 0.0
Fe1 Fe 0.25 0.25 0.25 0.92 0.0
Fe3 Fe 0.3607 0 0 0.45 0.0
Mo1 Mo 0.3607 0 0 0.5 0.0
Gd1 Gd 0 0 0 1 0.0
Gd2 Gd 0.3607 0 0 0.05 0.0
