#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 25/04/2021

data_5yOhtAoR
_audit_creation_date            2021-04-25
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        81
_citation_page_first            .
_citation_page_last             .
_citation_article_id            174427
_citation_year                  2010
_citation_DOI                   10.1103/PhysRevB.81.174427

loop_
_citation_author_name
"T. Mazet"
"Q. Recour"
"B. Malaman"

_atomic_positions_source_database_code_ICSD  169060
_atomic_positions_source_other               .

_temperature_position_structure         293
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_transition_temperature  197
_experiment_temperature  2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+  1  1  .  primary  4  .
mGM2+  1  1  .  primary  5  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 293K.
There are two other magnetic phases at higher temperatures (Transition temperatures: 262K and 227K).
In this phase there is a reorientation of the moments, with the FM ordering changing from the b to the c direction (Pnma setting).
FM is symmetry allowed on the plane bc
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two irreps as primary: at least two order parameters in the sense of Landau theory are involved.
MSG: P2_1'/n'11 in the setting used here (parent setting)
;

_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  '-c,a,-b+c;0,0,0'

_space_group_magn.number_BNS  14.79
_space_group_magn.name_BNS  "P 2_1'/c'"
_cell_length_a             7.56460
_cell_length_b             5.50990
_cell_length_c             8.59750
_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 
3 x+1/2,-y+1/2,-z+1/2,-1 
4 -x+1/2,y+1/2,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
Mn1_1 Mn 0.22450 0.00360 0.12290
Mn1_2 Mn  0.27550 0.99640 0.62290
Mn2 Mn 0.90790 0.25000 0.12990
Sn1 Sn 0.59690 0.25000 0.64260
Sn2 Sn 0.56100 0.25000 0.09320

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_1 -2.32(2) 0.00000 1.85(4) mx,my,mz  2.97(3)
Mn1_2 -2.32(2) 0.00000 1.85(4) mx,my,mz  2.97(3)
Mn2 0.00000 0.00000 2.30(6) mx,my,mz     2.30(6)

