#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 29/03/2020 


data_5yOhtAoR
_audit_creation_date            2020-03-29
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "New Journal of Physics"
_citation_journal_volume        11
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            043019
_citation_year                  2009
_citation_DOI                   10.1088/1367-2630/11/4/043019

loop_
_citation_author_name
"V Y Pomjakushin1"
"M Kenzelmann"
"A Donni"
"A B Harris"
"T Nakajima"
"S. Mitsuda"
"M Tachibana"
"L Keller"
"J Mesot"
"H Kitazawa"
"E Takayama-Muromachi"

_atomic_positions_source_database_code_ICSD  162209
_atomic_positions_source_other               .

_transition_temperature  32
_experiment_temperature  ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX1  2  2  special  primary  5  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a determination at room temperature taken from icsd
It is reported that below 4K the Tm moment also order along c, breaking further the symmetry. The Tm spin arrangement in this additional phase is not further specified. It cannot correspond to the same mX1 irrep, ctive in the present structure, which only allows non-zero Tm spin along b.
Mn moment value is only appoximate: it is the one reported at 2K, where the Tm momens are also ordered in an specified way and must break the symmetry into a lower MSG.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
2-dim irrep along a special direction as primary
Magnetic ordering breaks the symmetry into a polar group along c in the parent Pnma setting
Magnetically induced ferroelectricity along c is symmetry-llowed and observed (multiferroic of type II).
;

_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 [1/2 0 0]

_parent_space_group.child_transform_Pp_abc  '2a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'b,-a,c;1/8,1/4,0'



_space_group_magn.number_BNS  31.129
_space_group_magn.name_BNS  "P_b m n 2_1"
_cell_length_a             11.63140
_cell_length_b             7.32180
_cell_length_c             5.23100
_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+1/4,-y,z+1/2,+1 
3 x,-y+1/2,z,+1 
4 -x+1/4,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 
2 x+1/2,y,z,-1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Tm1_1 Tm 0.04250 0.25000 0.98200
Tm1_2 Tm  0.95750 0.75000 0.01800
Mn1 Mn 0.00000 0.00000 0.50000
O1_1 O 0.23400 0.25000 0.11100
O1_2 O  0.76600 0.75000 0.88900
O2_1 O 0.16300 0.05600 0.70400
O2_2 O  0.83700 0.55600 0.29600

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Tm1_1 0.00000 0.00000 0.00000 0,my,0
Tm1_2 0.00000 0.00000 0.00000 0,my,0
Mn1 3.75 0.00000 0.00000 mx,my,mz

