#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 21/04/2021 

data_5yOhtAoR
_audit_creation_date            2021-04-21
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Physical Review B"
_citation_journal_volume        96
_citation_page_first            .
_citation_page_last             .
_citation_article_id            134430
_citation_year                  2017
_citation_DOI                   10.1103/PhysRevB.96.134430

loop_
_citation_author_name
"M. Mihalik"
"M. Mihalik"
"A. Hoser"
"D. M. Pajerowski"
"D. Kriegner"
"D. Legut"
"K. M. Lebecki"
"M. Vavra"
"M. Fitta"
"M. W. Meisel"

_atomic_positions_source_database_code_ICSD  8412
_atomic_positions_source_other               .

_temperature_position_structure         293
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_transition_temperature  59
_experiment_temperature  20

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 from a determination at room temperature
Below 13K another phase with the same MSG is reported.
Several models which are competitive are mentioned in the paper. Here only the one with better fit parameters is given.
FM along b
;

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

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

_space_group_magn.number_BNS  62.448
_space_group_magn.name_BNS  "P n' m a'"
_cell_length_a             5.78100
_cell_length_b             7.63000
_cell_length_c             5.43900
_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,-z,+1 
4 x,-y+1/2,z,+1 
5 x+1/2,-y+1/2,-z+1/2,-1 
6 -x+1/2,-y,z+1/2,-1 
7 -x+1/2,y+1/2,z+1/2,-1 
8 x+1/2,y,-z+1/2,-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
Nd1 Nd 0.06400 0.25000 0.97300 1.
Mn1 Mn 0.00000 0.00000 0.50000 0.8
Fe1 Fe 0.00000 0.00000 0.50000 0.2
O1 O 0.47800 0.25000 0.08700 1.
O2 O 0.31500 0.04000 0.70800 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
Nd1 0.00000 0.7(2) 0.00000 0,my,0       0.7(2)  
Mn1 -2.91(4) -0.9(2) 0.9(1) mx,my,mz    3.18
Fe1 0.00000 0.00000 0.00000 mx,my,mz    0.0

