#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/04/2021 

data_5yOhtAoR
_audit_creation_date            2021-04-01
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "JOURNAL OF SOLID STATE CHEMISTRY"
_citation_journal_volume        132
_citation_page_first            98
_citation_page_last             106
_citation_article_id            ?
_citation_year                  1997
_citation_DOI                   10.1006@jssc.1997.7414

loop_
_citation_author_name
"Z. Jirak!
"J. Hejtmanek"
"K. Knizek"

_atomic_positions_source_database_code_ICSD  84923
_atomic_positions_source_other               .

_temperature_position_structure         290
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            4

_transition_temperature  85
_experiment_temperature  4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+  1  1  .  primary  4  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure except cell parameters from a determination at 290K
Non-standard parent setting Pbnm 
FM along c (setting Pbnm)
The relative sign of the Mn moment components along y and z specifies two non-equivalent arrangements. Both components on the layer at z=0 have been assumed positive.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary
;

_parent_space_group.name_H-M_alt  'P b n m'
_parent_space_group.IT_number                       62
_parent_space_group.transform_Pp_abc  'b,c,a;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,c,a;0,0,0'

_space_group_magn.number_BNS  62.448
_space_group_magn.name_BNS  "P n' m a'"
_cell_length_a             5.448
_cell_length_b             5.676
_cell_length_c             7.579
_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,z+1/2,+1 
3 -x,-y,-z,+1 
4 x,y,-z+1/2,+1 
5 -x+1/2,y+1/2,-z+1/2,-1 
6 x+1/2,-y+1/2,-z,-1 
7 x+1/2,-y+1/2,z+1/2,-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 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1 Mn 0.50000 0.00000 0.00000 1.
Pr1 Pr 0.48400 0.43700 0.75000 0.95
K1 K 0.48400 0.43700 0.75000 0.05
O1 O 0.57800 0.01200 0.75000 1.
O2 O 0.71600 0.30400 0.03600 1.

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
Mn1 0.00000 2.64(8) 1.05(20) mx,my,mz 2.84
Pr1 0.00000 0.00000 0.00000 0,0,mz    0.0

