#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 28/03/2020 


data_5yOhtAoR
_audit_creation_date            2020-03-28
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev       "Phys. Rev. B"
_citation_journal_volume        95
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            104412
_citation_year                  2017
_citation_DOI                   10.1103/PhysRevB.95.104412

loop_
_citation_author_name
"S. Mukherjee"
"A. Donni"
"T. Nakajima"
"S. Mitsuda"
"M. Tachibana"
"H. Kitazawa"
"V. Pomjakushin"
"L. Keller"
"C. Niedermayer"
"A. Scaramucci"
"M. Kenzelmann"

_atomic_positions_source_database_code_ICSD  160376
_atomic_positions_source_other               .

_transition_temperature  35.5
_experiment_temperature  5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX1  2  2  special  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Non-standard parent setting (Pbnm)
Positional structure from a room temperature determination (icsd 160376)
This phase is prceded by an incommensurate magnetic phase between 39K and 35.5K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
2-dim irrep along a special direction as primary
irrep label here refers to the standard setting Pnma of the parent phase, where the propagation vector is (1/2,0,0)
;

_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 1/2 0]

_parent_space_group.child_transform_Pp_abc  'a,2b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '-c,-b,-a;0,-7/8,-3/4'



_space_group_magn.number_BNS  31.129
_space_group_magn.name_BNS  "P_b m n 2_1"
_cell_length_a             5.19860
_cell_length_b             11.57710
_cell_length_c             7.29700
_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+1/4,-z,+1 
3 x,y,-z+1/2,+1 
4 x+1/2,-y+1/4,z+1/2,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x,y+1/2,z,-1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Lu1_1 Lu 0.01820 0.45755 0.75000
Lu1_2 Lu  0.98180 0.54245 0.25000
Mn1 Mn 0.50000 0.00000 0.00000
O1_1 O 0.87900 0.27155 0.75000
O1_2 O  0.12100 0.72845 0.25000
O2_1 O 0.69580 0.16555 0.05700
O2_2 O  0.30420 0.83445 0.55700

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Mn1 0.00000 3.67(1) 0.25(2) mx,my,mz

