#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 22/03/2020

data_5yOhtAoR
_audit_creation_date            2020-03-22
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        31
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            385802
_citation_year                  2019
_citation_DOI                   10.1088/1361-648X/ab2b83

loop_
_citation_author_name
"A. Martinelli"
"S. Sanna"
"G. Lamura"
"C. Ritter"
"B. Joseph"
"E. Bauer"
"M. Giovannini"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  3
_experiment_temperature  1.5


loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mZ1+  1  1  .  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from data at room temperature
Magnetic moment value only approximate (it corresponds to the compound with 0.5/0.5 In/Sn content)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (10 possible)
1-dim irrep as primary
The MSG assigned in the reference is not correct. Here the correct one is used to describe the structure.
;

_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  'a,b,c;0,0,0'



_space_group_magn.number_BNS  127.396
_space_group_magn.name_BNS  "P_c 4/m b m"
_cell_length_a             7.59090
_cell_length_b             7.59090
_cell_length_c             7.27820
_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+1/2,-y+1/2,-z,+1
5 -x+1/2,y+1/2,-z,+1
6 -x,-y,z,+1
7 y+1/2,x+1/2,-z,+1
8 -y+1/2,-x+1/2,-z,+1
9 -x,-y,-z,+1
10 y,-x,-z,+1
11 -y,x,-z,+1
12 -x+1/2,y+1/2,z,+1
13 x+1/2,-y+1/2,z,+1
14 x,y,-z,+1
15 -y+1/2,-x+1/2,z,+1
16 y+1/2,x+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
Yb1 Yb 0.17160 0.67160 0.25000 1.
Pd1 Pd 0.62930 0.12930 0.00000 1.
In1 In 0.00000 0.00000 0.00000 0.4
Sn1 Sn 0.00000 0.00000 0.00000 0.6

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Yb1 0.57 -0.57 0.00000 mx,-mx,0

