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#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/84/1008441.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_1008441
loop_
_publ_author_name
'Malaman, B'
'Venturini, G'
'Le Caer, G'
'Pontonnier, L'
'Fruchart, D'
'Tomala, K'
'Sanchez, J P'
_publ_section_title
;
Magnetic structures of Pr Fe Si₂ and Nd Fe Si₂ from neutron and
Moessbauer studies
;
_journal_coden_ASTM              PRBMDO
_journal_issue                   7
_journal_name_full
;
Physical Review, Serie 3. B - Condensed Matter (18,1978-)
;
_journal_page_first              4700
_journal_page_last               4712
_journal_paper_doi               10.1103/PhysRevB.41.4700
_journal_volume                  41
_journal_year                    1990
_chemical_formula_structural     'Pr Fe Si2'
_chemical_formula_sum            'Fe Pr Si2'
_chemical_name_systematic        'Praseodymium iron silicide (1/1/2)'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.103(3)
_cell_length_b                   17.04(3)
_cell_length_c                   4.016(3)
_cell_volume                     280.8
_refine_ls_R_factor_all          0.007
_cod_database_code               1008441
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
x,y,1/2-z
x,-y,1/2+z
-x,-y,-z
-x,y,z
-x,-y,1/2+z
-x,y,1/2-z
1/2+x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,1/2+y,1/2-z
1/2+x,1/2-y,1/2+z
1/2-x,1/2-y,-z
1/2-x,1/2+y,z
1/2-x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Pr1 Pr0 4 c 0. 0.1039(1) 0.25 1. 0 d
Fe1 Fe0 4 c 0. 0.7507(1) 0.25 1. 0 d
Si1 Si0 4 c 0. 0.4642(2) 0.25 1. 0 d
Si2 Si0 4 c 0. 0.3200(2) 0.25 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pr0 0.000
Fe0 0.000
Si0 0.000
