#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/04/2021 

data_5yOhtAoR
_audit_creation_date            2021-04-11
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        82
_citation_page_first            .
_citation_page_last             .
_citation_article_id            100412(R)
_citation_year                  2010
_citation_DOI                   10.1103/PhysRevB.82.100412

loop_
_citation_author_name
"S. A. J. Kimber"
"A. H. Hill"
"Y.-Z. Zhang"
"H. O. Jeschke"
"R. Valenti"
"C. Ritter"
"I. Schellenberg"
"W. Hermes"
"R. Pottgen"
"D. N. Argyriou"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_temperature_position_structure         20
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_transition_temperature  80
_experiment_temperature  4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5-  2  2   special  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 20K
The orthorhombic distorted positional structure is consistent with the MSG of the system. The structure distortion can be a magnetic induced effect.
At higher temperatures a phase with only the Mn moments ordered along c exists (T_N= 230K).
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim irrep along a special direction as primary
;

_parent_space_group.name_H-M_alt  'P 4/n m m'
_parent_space_group.IT_number                       129
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

_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  59.407
_space_group_magn.name_BNS  "P m' m n"
_cell_length_a             4.18842
_cell_length_b             4.17416
_cell_length_c             9.44812
_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+1/2,y,z,+1 
4 x+1/2,y+1/2,-z,+1 
5 x+1/2,-y,-z,-1 
6 -x+1/2,-y+1/2,z,-1 
7 -x,-y,-z,-1 
8 x,-y+1/2,z,-1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pr1 Pr 0.25000 0.75000 0.1175
Mn1 Mn 0.25000 0.25000 0.4994
Sb1 Sb 0.25000 0.75000 0.6847
O1 O 0.25000 0.25000 0.006

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 -2.96(3) 0.00000 0.00000 mx,0,0  2.96(3)
Mn1 -3.69(3) 0.00000 0.00000 mx,0,0  3.69(3)

