#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 13/04/2021 

data_5yOhtAoR
_audit_creation_date            2021-04-13
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "phys. stat. sol. (b)"
_citation_journal_volume        49
_citation_page_first            589
_citation_page_last             596
_citation_article_id            .
_citation_year                  1972
_citation_DOI                   10.1002/pssb.2220490221

loop_
_citation_author_name
"S. Neov"
"E. Legrand"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_temperature_position_structure         ?
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            293

_transition_temperature  392
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX2+ 1  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Cell parameters are probably from a room temperature measurement
According to the paper, at 392K only Mn1 moments becomes ordered, and it is below 226K that Mn2 also orders, with an intermediate incommensurate phase.
;

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

_parent_space_group.name_H-M_alt  'I m m m'
_parent_space_group.IT_number                       71
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

_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  58.404
_space_group_magn.name_BNS  "P_I n n m"
_cell_length_a             3.036
_cell_length_b             12.842
_cell_length_c             2.964
_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+1/2,+1 
3 -x+1/2,y+1/2,-z+1/2,+1 
4 -x,-y,z,+1 
5 -x,-y,-z,+1 
6 -x+1/2,y+1/2,z+1/2,+1 
7 x+1/2,-y+1/2,z+1/2,+1 
8 x,y,-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+1/2,-1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1 Mn 0.50000 0.50000 0.00000
Mn2 Mn 0.00000 0.184 0.00000
B1 B 0.00000 0.363 0.00000
B2 B 0.00000 0.436 0.50000

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 0.00000 -2.92 0,0,mz   2.92
Mn2 0.00000 0.00000 0.44 0,0,mz    0.44

