#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 29/12/2019


data_5yOhtAoR
_audit_creation_date            2019-12-29
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Phys. Rev. B"
_citation_journal_volume        99
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            184444
_citation_year                  2019
_citation_DOI                   10.1103/PhysRevB.99.184444

loop_
_citation_author_name
"J.L. Garcia-Munoz"
"J. Blasco"
"X. Zhang"
"O. Fabelo"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  3.7
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+  1  1  .  primary  9  .
mGM2-  1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Above 3.7K and up to 120K other magnetic phases of higher symmetry are reported. They all have the same symmetry (see #0.269, #0.270 and  #0.271)
Only positions of magnetic atoms are reported
The structure is described in non-standard setting P2_1/n
The magnetic moment modulus of the Ni site was constrained to be 2/3 of that of Mn
The Tb site is split by the symmetry break into two independent sites. The reported Tb1 and Tb2 positions indeed slightly break their symmetry relation of the parent phase. Not clear if this is a real observation or it is a rounding-up error in the table, as this important feature of the reported structure is not expicitly mentioned in the text.
;

_active_magnetic_irreps_details
;
1k magnetic structure
two irreps active as primary irreps
mGM2+ corresponds to the Mn and Ni spin arrangements, while the Tb spins are ordered according to the mGM2- irrep
Polar symmetry.
Possible magnetic induced ferroelectricity along b (multiferroic of type II).
;

_parent_space_group.name_H-M_alt  'P 2_1/c'
_parent_space_group.IT_number                       14
_parent_space_group.transform_Pp_abc  'a,b,-a+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;1/4,0,1/4'



_space_group_magn.number_BNS  4.9
_space_group_magn.name_BNS  "P 2_1'"
_cell_length_a             5.2745
_cell_length_b             5.5164
_cell_length_c             7.5102
_cell_angle_alpha          90.00
_cell_angle_beta           90.161
_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

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
Tb1_1 Tb 0.01700 0.06600 0.74900
Tb1_2 Tb  0.98200 0.93400 0.25000
Ni1 Ni 0.00000 0.50000 0.00000
Mn1 Mn 0.50000 0.00000 0.00000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Tb1_1 5.84(6) 4.7(2) 0.00000 mx,my,mz
Tb1_2 -5.84 -4.7 0.00000 mx,my,mz
Ni1 0.8(2) 0.00000 1.6(1) mx,my,mz
Mn1 1.3(3) 0.00000 2.4(1) mx,my,mz

