#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/29/1532986.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_1532986
loop_
_publ_author_name
'Nakata, Yoshiyuki'
_publ_section_title
;
 The Crystal Structure and Magnetic Properties of Fe₃Pt Martensite
 Determined by First Principle Calculations
;
_journal_coden_ASTM              MTARCE
_journal_issue                   9
_journal_name_full               'Materials Transactions'
_journal_page_first              1706
_journal_page_last               1708
_journal_paper_doi               10.2320/matertrans.44.1706
_journal_volume                  44
_journal_year                    2003
_chemical_formula_sum            'Fe3 Pt'
_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            4
_cell_length_a                   5.73
_cell_length_b                   5.73
_cell_length_c                   6.34
_cell_volume                     208.161
_citation_journal_id_ASTM        MTARCE
_cod_data_source_file            Nakata_MTARCE_2003_1960.cif
_cod_data_source_block           Fe3Pt1
_cod_original_cell_volume        208.1606
_cod_original_formula_sum        'Fe3 Pt1'
_cod_database_code               1532986
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
Pt1 Pt 0 0.5 0.25 1 0.0
Fe1 Fe 0 0 0.7511 1 0.0
Fe2 Fe 0.7507 0.7507 0 1 0.0
