#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 24/06/2021 

data_5yOhtAoR
_audit_creation_date            2021-06-24
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Physical Review B"
_citation_journal_volume        78
_citation_page_first            .
_citation_page_last             .
_citation_article_id            132504
_citation_year                  2008
_citation_DOI                   10.1103/PhysRevB.78.132504

loop_
_citation_author_name
"J. Zhao"
"Q. Huang"
"C. de la Cruz"
"J. W. Lynn"
"M. D. Lumsden"
"Z. A. Ren"
"J. Yang"
"X. Shen"
"X. Dong"
"Z. Zhao"
"P. Dai"

_atomic_positions_source_database_code_ICSD  162833
_atomic_positions_source_other               .

_transition_temperature  14
_experiment_temperature  5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY3- 1  1  .  primary 2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Fe moments order at 127K, while Pr becomes ordered below 14K
See #1.586 for a very different model for this phase obtained with NSD and XRMS
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary
Fe and Pr moments have different transition temperatures, but the reported spin arrangement involves a single irrep.
;

_parent_space_group.name_H-M_alt  'C m m e'
_parent_space_group.IT_number                       67
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1 0 0]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'b,c,a;1/4,1/4,0'

_space_group_magn.number_BNS  54.350
_space_group_magn.name_BNS  "P_B c c a"
_cell_length_a             5.63740
_cell_length_b             5.60630
_cell_length_c             8.59660
_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,y+1/2,-z,+1 
3 -x,-y+1/2,z,+1 
4 x,-y,-z,+1 
5 -x+1/2,-y+1/2,-z,+1 
6 x+1/2,-y,z,+1 
7 x+1/2,y,-z,+1 
8 -x+1/2,y+1/2,z,+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 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pr1 Pr 0.00000 0.25000 0.13850
Fe1 Fe 0.25000 0.00000 0.50000
As1 As 0.00000 0.25000 0.65650
O1 O 0.25000 0.00000 0.00000

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 0.00000 0.84(4) 0,0,mz  0.84(4)
Fe1 0.48(9) 0.00000 0.00000 mx,0,0  0.48(9)

