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#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/14/1511410.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_1511410
loop_
_publ_author_name
'Tenaud, P.'
'Givord, D.'
'Moreau, J.M.'
_publ_section_title
;
 Refinement of the crystal structure of R1 + epsilonFe4 B4 compounds (R =
 Nd, Gd)
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              109
_journal_page_last               116
_journal_paper_doi               10.1016/0022-5088(86)90121-9
_journal_volume                  123
_journal_year                    1986
_chemical_formula_sum            'B145.76 Fe145.76 Nd36.44'
_chemical_name_systematic        '(Fe4 Nd B4)36.44'
_space_group_IT_number           138
_symmetry_space_group_name_Hall  'P 4n 2ab -1n'
_symmetry_space_group_name_H-M   'P 42/n c m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   7.117
_cell_length_b                   7.117
_cell_length_c                   35.07
_cell_volume                     1776.355
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            boron0-1_554.cif
_cod_data_source_block           B145.76Fe145.76Nd36.44
_cod_original_sg_symbol_Hall     '-P 4ac 2ac (x-1/4,y+1/4,z-1/4)'
_cod_database_code               1511410
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z
y,x,-z+1/2
-x+1/2,y+1/2,-z
-y,-x,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y,-x,-z
x+1/2,y+1/2,-z+1/2
-y,x,-z
-x,y,z+1/2
-y+1/2,-x+1/2,z
x,-y,z+1/2
y+1/2,x+1/2,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
Fe3 Fe 0.3856 0.8684 0.4872 1 0.0
B4 B 0.3212 0.8148 0.6543 1 0.0
Nd2 Nd 0 0 0.075 1 0.0
B3 B 0.313 0.823 0.5432 1 0.0
B7 B 0.3265 0.8095 0.9876 1 0.0
B2 B 0.3072 0.8288 0.4321 1 0.0
Fe6 Fe 0.3655 0.8885 0.8205 1 0.0
B8 B 0.319 0.8171 0.0987 1 0.0
Fe5 Fe 0.3703 0.8837 0.7094 1 0.0
Nd5 Nd 0 0 0.775 1 0.0
Nd3 Nd 0 0 0.975 1 0.0
B5 B 0.3279 0.8081 0.7654 1 0.0
Fe2 Fe 0.389 0.865 0.3761 1 0.0
Fe7 Fe 0.366 0.888 0.9316 1 0.0
Nd1 Nd 0 0 0.175 1 0.0
B1 B 0.3064 0.8296 0.321 1 0.0
B6 B 0.3309 0.8051 0.8765 1 0.0
Fe9 Fe 0.3799 0.8741 0.1539 1 0.0
B9 B 0.311 0.8249 0.2098 1 0.0
Fe8 Fe 0.3717 0.8823 0.0427 1 0.0
Fe1 Fe 0.3867 0.8673 0.2649 1 0.0
Fe4 Fe 0.3784 0.8756 0.5982 1 0.0
Nd4 Nd 0 0 0.875 1 0.0
