#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 23/03/2020


data_5yOhtAoR
_audit_creation_date            2020-03-23
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Alloys and Compounds"
_citation_journal_volume        262-263
_citation_page_first            219
_citation_page_last             224
_citation_article_id            ?
_citation_year                  1997
_citation_DOI                   10.1016/S0925-8388(97)00385-X

loop_
_citation_author_name
"D. Laffargue"
"T. Roisnel"
"B. Chevalier"
"F. Bouree"



_atomic_positions_source_database_code_ICSD  54397
_atomic_positions_source_other               .

_transition_temperature  20.8
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mZ5-  2  2  special  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Between 20.8K and 27.3K an incommensurate magnetic phase with propagation vector (k,k,1/2), with k around 0.1, is observed.
Positional structure from room temperature data
The composition according to the site aoccupancies slightly differs from the nominal one
Tb Moment modulus: 8.70(5)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (10 possible)
2-dim irrep along a special direction
The direction of the moment on the ab plane is not symmetry forced.
;

_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 [0 0 1/2]

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



_space_group_magn.number_BNS  62.451
_space_group_magn.name_BNS  "P_b n m a"
_cell_length_a             7.63330
_cell_length_b             7.63330
_cell_length_c             7.47480
_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+1/2,-z,+1
3 -x,-y,z+1/2,+1
4 x+1/2,-y+1/2,-z+1/2,+1
5 -x,-y,-z+1/2,+1
6 x+1/2,-y+1/2,z+1/2,+1
7 x,y,-z,+1
8 -x+1/2,y+1/2,z,+1

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tb1 Tb 0.17470 0.67470 0.25000 1.
Pd1 Pd 0.37260 0.87260 0.00000 1.
Sn1 Sn 0.00000 0.00000 0.00000 0.972
Pd2 Pd 0.00000 0.00000 0.13000 0.014

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 6.15 6.15 0.0 mx,my,0

