#------------------------------------------------------------------------------
#$Date: 2016-01-01 11:28:45 +0100 (Fri, 01 Jan 2016) $
#$Revision: 171915 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/07/1540784.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_1540784
loop_
_publ_author_name
'Yang, Y.'
'Yang, J.'
'Kong, L.'
'Pan, Q.'
'Zhang, X.'
'Ding, Y.'
'Zhang, B.'
'Ye, C.'
'Jin, L.'
_publ_section_title
;
 Neutron diffraction study of ternary nitrides of the type R2Fe17Nx
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              6018
_journal_page_last               6020
_journal_volume                  70
_journal_year                    1991
_chemical_formula_sum            'Fe17 N2.56 Nd2'
_chemical_name_systematic        'Nd2 Fe17 N2.56'
_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                   8.762
_cell_length_b                   8.762
_cell_length_c                   12.631
_cell_volume                     839.798
_citation_journal_id_ASTM        JAPIAU
_cod_data_source_file            Yang_JAPIAU_1991_1535.cif
_cod_data_source_block           Fe17N2.56Nd2
_cod_database_code               1540784
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
Fe2 Fe 0 0 0.103 1 0.0
Nd1 Nd 0 0 0.361 1 0.0
Fe4 Fe 0.502 0.498 0.159 1 0.0
Fe1 Fe 0.5 0 0.5 1 0.0
Fe3 Fe 0.277 0 0 1 0.0
N1 N 0.5 0 0 0.8544 0.0
