#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 27/10/2020

data_5yOhtAoR
_audit_creation_date            2020-10-27
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Magnetism and Magnetic Materials"
_citation_journal_volume        218
_citation_page_first            31
_citation_page_last             41
_citation_article_id            ?
_citation_year                  200
_citation_DOI                   10.1016/S0304-8853(00)00351-6

loop_
_citation_author_name
"P. Schobinger-Papamantellos"
"K. Buschow"
"C. de Groot"
"F. de Boer"
"C. Ritter"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  393
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM5+  2  2  special  primary  20  .

_exptl_crystal_magnetic_properties_details
;
NPD
The article reports the magnetic structure at various temperatures within the same phase. Here the values at the lowest temperature have been taken
The direction of the moments on the basal xy plane is undetermined. A direction of maximal symmetry has been chosen.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (12 possible)
2-dim irrep along a special position as primary
;

_parent_space_group.name_H-M_alt  'I 4/m c m'
_parent_space_group.IT_number                       140
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1 1 1]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'b,-a,c;0,0,0'



_space_group_magn.number_BNS  60.432
_space_group_magn.name_BNS  "P_I b c n"
_cell_length_a             8.0925
_cell_length_b             8.0925
_cell_length_c             23.407
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          90.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -x+1/2,y+1/2,-z,+1
3 x,-y,-z+1/2,+1
4 -x+1/2,-y+1/2,z+1/2,+1
5 -x,-y,-z,+1
6 x+1/2,-y+1/2,z,+1
7 -x,y,z+1/2,+1
8 x+1/2,y+1/2,-z+1/2,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/2,y+1/2,z+1/2,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pr1 Pr 0.00000 0.00000 0.10440
Pr2 Pr 0.16440 0.66440 0.18660
Fe1 Fe 0.00000 0.50000 0.00000
Fe2_1 Fe 0.06550 0.21040 0.00000
Fe2_2 Fe  0.78960 0.06550 0.00000
Fe3_1 Fe 0.17850 0.67840 0.05880
Fe3_2 Fe  0.32160 0.17850 0.05880
Fe4 Fe 0.38650 0.88650 0.09370
Sn1 Sn 0.00000 0.00000 0.25000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
_atom_site_moment.magnitude
Pr1 0.00000 2.91(8) 0.00000 mx,my,0      2.91(8)
Pr2 0.00000 2.73(5) 0.00000 mx,my,mz     2.73(5)
Fe1 0.00000 2.3(2)  0.00000 mx,my,0      2.3(2)
Fe2_1 0.00000 2.57(7) 0.00000 mx,my,0    2.57(7)
Fe2_2 0.00000 2.57    0.00000 mx,my,0    2.57
Fe3_1 0.00000 2.42(7) 0.00000 mx,my,mz   2.42(7)
Fe3_2 0.00000 2.42 0.00000 mx,my,mz      2.42
Fe4   0.00000 2.54(7) 0.00000 mx,my,mz   2.54(7)

