#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/09/2021 


data_5yOhtAoR
_audit_creation_date            2021-09-05
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Alloys and Compounds"
_citation_journal_volume        322
_citation_page_first            55
_citation_page_last             58
_citation_article_id            .
_citation_year                  2001
_citation_DOI                   10.1016/S0925-8388(01)01194-X

loop_
_citation_author_name
"M. Kolenda"
"A. Oles"
"A. Szytula"

_atomic_positions_source_database_code_ICSD  93339
_atomic_positions_source_other               .

_temperature_position_structure         18
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_transition_temperature  9
_experiment_temperature  6.4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mU1  4  2  special  primary  1  .
mU3  4  2  special  primary?  1  .

_exptl_crystal_magnetic_properties_details
;
NPD
Phase observed between 9K and 5K
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two different small irreps are involved in a very specific combination of amplitudes of their basis modes to produce equal moments for the two symmetry independent Tb sites.
Any of the two irreps is sufficient for the proposed symmetry break and can therefore be taken as primary irrep.
Possible multi-k arrangements invloving the two k-vectors of the irreps star were not considered.
;

_parent_space_group.name_H-M_alt  'P 4/n m m'
_parent_space_group.IT_number                       129
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 1/4 1/2]

_parent_space_group.child_transform_Pp_abc  'a,4b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'c,a,1/2b+1/2c;0,7/8,0'

_space_group_magn.number_BNS  11.55
_space_group_magn.name_BNS  "P_a 2_1/m"
_cell_length_a             4.25250
_cell_length_b             17.01000
_cell_length_c             19.75820
_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+3/4,-z,+1 
3 -x,-y+3/4,-z,+1 
4 -x+1/2,y,z,+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+1/2,+1 
3 x,y,z+1/2,-1 
4 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
Tb1_1 Tb 0.25000 0.06250 0.37240
Tb1_2 Tb  0.25000 0.31250 0.37240
Cu1_1 Cu 0.75000 0.06250 0.00000
Cu1_2 Cu  0.75000 0.31250 0.00000
Sb1_1 Sb 0.75000 0.06250 0.25000
Sb1_2 Sb  0.75000 0.31250 0.25000
Sb2_1 Sb 0.25000 0.06250 0.08225
Sb2_2 Sb  0.25000 0.31250 0.08225

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
Tb1_1 6.27(8) 0.00000 0.00000 mx,0,0   6.27(8)
Tb1_2 -6.27(8) 0.00000 0.00000 mx,0,0  6.27(8)

