#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/06/2020

data_5yOhtAoR
_audit_creation_date            2020-06-02
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        32
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            345801
_citation_year                  2020
_citation_DOI                   10.1088/1361-648X/ab8428

loop_
_citation_author_name
"S. Maskova-Cerna"
"M. Klicpera"
"P. Svoboda"
"A.V. Andreev"
"Y. Skourski"
"M. Reehuis"
"J.-U. Hoffmann"
"G. Andre"
"L. Havela"



_atomic_positions_source_database_code_ICSD  54484
_atomic_positions_source_other               .

_transition_temperature  29.5
_experiment_temperature  1.7

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mS4  4  1  special  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a room temperature model retrieved from ICSD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim small irrep but 4-dim irrep (4 k-vectors) as primary, restricted to k and -k vectors along a special direction (special phase of the spin wave).
The possibly equal fit of the data to a 2k structure of tetragonal symmetry involving the 4 vectors of the irrep seems not to have been considered or tested.
No magnetic harmonics are possible.
An induced structural modulation with wave vector (1/2,1/2,0) (irrep M5+) is possible
;

_parent_space_group.name_H-M_alt  'P 4/m b m'
_parent_space_group.IT_number                       127
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

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



_space_group_magn.number_BNS  64.479
_space_group_magn.name_BNS  "C_a m c a"
_cell_length_a             30.65440
_cell_length_b             30.65440
_cell_length_c             7.44780
_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 y+7/8,x+1/8,-z,+1
4 -y+7/8,-x+1/8,-z,+1
5 -x,-y,-z+1/2,+1
6 x,y,-z+1/2,+1
7 -y+7/8,-x+1/8,z+1/2,+1
8 y+7/8,x+1/8,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+1/2,+1
3 x+1/4,y+1/4,z+1/2,+1
4 x+1/4,y+3/4,z,+1
5 x+1/2,y,z+1/2,+1
6 x+1/2,y+1/2,z,+1
7 x+3/4,y+1/4,z,+1
8 x+3/4,y+3/4,z+1/2,+1
9 x,y,z+1/2,-1
10 x,y+1/2,z,-1
11 x+1/4,y+1/4,z,-1
12 x+1/4,y+3/4,z+1/2,-1
13 x+1/2,y,z,-1
14 x+1/2,y+1/2,z+1/2,-1
15 x+3/4,y+1/4,z+1/2,-1
16 x+3/4,y+3/4,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 0.04347 0.16847 0.25000
Tb1_2 Tb  0.95652 0.08153 0.25000
Tb1_3 Tb  0.08153 0.04347 0.25000
Pd1_1 Pd 0.09310 0.21810 0.00000
Pd1_2 Pd  0.90690 0.03190 0.00000
Pd1_3 Pd  0.03190 0.09310 0.00000
In1_1 In 0.00000 0.00000 0.00000
In1_2 In  0.12500 0.12500 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 0.00000 0.00000 -8.7 0,0,mz
Tb1_2 0.00000 0.00000 8.7 0,0,mz
Tb1_3 0.00000 0.00000 -8.7 0,0,mz



