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#$Date: 2015-07-13 03:37:45 +0200 (Mon, 13 Jul 2015) $
#$Revision: 149190 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/75/1527562.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_1527562
loop_
_publ_author_name
'Ibberson, R.M.'
'Moze, O.'
'Jacobs, T.H.'
'Buschow, K.H.J.'
_publ_section_title
;
 Nitrogen atom location in rhombohedral and hexagonal RE2 Fe17 Nx
 compounds
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              1219
_journal_page_last               1226
_journal_volume                  3
_journal_year                    1991
_chemical_formula_sum            'Fe17 N2.6 Nd2'
_chemical_name_systematic        'Fe17 Nd2 N2.6'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.776
_cell_length_b                   8.776
_cell_length_c                   12.6366
_cell_volume                     842.857
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Ibberson_JCOMEL_1991_475.cif
_cod_data_source_block           Fe17N2.6Nd2
_cod_original_cell_volume        842.8574
_cod_database_code               1527562
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
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Nd1 Nd 0 0 0.3418 1 0.0
Fe1 Fe 0 0 0.0938 1 0.0
Fe2 Fe 0.5 0 0.5 1 0.0
Fe3 Fe 0.2825 0 0 1 0.0
Fe4 Fe 0.5038 0.4963 0.1522 1 0.0
N1 N 0.5 0 0 0.86 0.0
