#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/04/2021 

data_5yOhtAoR
_audit_creation_date            2021-04-03
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys. F: Met. Phys."
_citation_journal_volume        11
_citation_page_first            1225
_citation_page_last             ?
_citation_article_id            ?
_citation_year                  1981
_citation_DOI                   10.1088/0305-4608/11/6/009

loop_
_citation_author_name
"H Ptasiewicz-Bak"
"J Leciejewicz"
"A Zygmunt"

_atomic_positions_source_database_code_ICSD  108867
_atomic_positions_source_other               .

_temperature_position_structure         293
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_transition_temperature  150(4)
_experiment_temperature  80

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mLD4  2  1  special  primary  1  .
mGM3+   1  1   .      secondary   1  no

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 293K
FM along c
The propagation vector is given in the paper as (0,0,0.662(10)). Here it is considered to be commensurate (0,0,2/3), which is within the reported error.
The paper also reports the structure determined at 4.2K. A rather different model having an additional AFM component with propagation vector (0,0,1) (see entry #2.65), which results in a different MSG.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim irrep along a special direction as primary
A k=0 secondary irrep component (3rd harmonic) is symmetry allowed, but not present in the model. It is the FM mode along c allowed by the MSG. Weak FM along c is to be expected.
;

_parent_space_group.name_H-M_alt  'I 4/m m m'
_parent_space_group.IT_number                       139
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 2/3]

_parent_space_group.child_transform_Pp_abc  'a,b,3c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'

_space_group_magn.number_BNS  139.537
_space_group_magn.name_BNS  "I 4/m m' m'"
_cell_length_a             4.09700
_cell_length_b             4.09700
_cell_length_c             30.13800
_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 -y,x,z,+1 
3 y,-x,z,+1 
4 -x,-y,z,+1 
5 -x,-y,-z,+1 
6 y,-x,-z,+1 
7 -y,x,-z,+1 
8 x,y,-z,+1 
9 x,-y,-z,-1 
10 -x,y,-z,-1 
11 y,x,-z,-1 
12 -y,-x,-z,-1 
13 -x,y,z,-1 
14 x,-y,z,-1 
15 -y,-x,z,-1 
16 y,x,z,-1 

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pd1_1 Pd 0.00000 0.50000 0.08333
Pd1_2 Pd  0.50000 0.00000 0.25000
U1_1 U 0.00000 0.00000 0.00000
U1_2 U  0.50000 0.50000 0.16667
Si1_1 Si 0.00000 0.00000 0.12720
Si1_2 Si  0.50000 0.50000 0.29387
Si1_3 Si  0.50000 0.50000 0.03947

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
U1_1 0.00000 0.00000 2.55(10) 0,0,mz  2.55(10)
U1_2 0.00000 0.00000 -1.275 0,0,mz    1.275

