#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 27/07/2021 

data_5yOhtAoR
_audit_creation_date            2021-07-27
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Superconductivity and Novel Magnetism"
_citation_journal_volume        34
_citation_page_first            925
_citation_page_last             941
_citation_article_id            .
_citation_year                  2021
_citation_DOI                   10.1007/s10948-021-05805-1

loop_
_citation_author_name
"I. Shivarajal"
"S. Matteppanavar"
"P. S. R. Krishna"
"S. Rayaprol"
"P. D. Babu"
"V. J. Angadi"
"S. P. Kubrin"
"B. Angadi"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  435
_experiment_temperature  300

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mR5-  3  3  special  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD
The structure and mmoment magnitude is also reported at several other temperatures above 300K
;

_active_magnetic_irreps_details
;
1k amgnetic structure
k-maximal magnetic symmetry
3-dim along a special direction as primary
;

_parent_space_group.name_H-M_alt  'P m -3 m'
_parent_space_group.IT_number                       221
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

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

_space_group_magn.number_BNS  140.550
_space_group_magn.name_BNS  "I_c 4/m c m"
_cell_length_a             7.95920
_cell_length_b             7.95920
_cell_length_c             7.95920
_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+1/2,x,z,+1 
3 y,-x+1/2,z,+1 
4 -y+1/2,-x+1/2,-z,+1 
5 y,x,-z,+1 
6 -x+1/2,-y+1/2,z,+1 
7 x,-y+1/2,-z,+1 
8 -x+1/2,y,-z,+1 
9 -x+1/2,-y+1/2,-z+1/2,+1 
10 y,-x+1/2,-z+1/2,+1 
11 -y+1/2,x,-z+1/2,+1 
12 y,x,z+1/2,+1 
13 -y+1/2,-x+1/2,z+1/2,+1 
14 x,y,-z+1/2,+1 
15 -x+1/2,y,z+1/2,+1 
16 x,-y+1/2,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+1/2,y,z+1/2,+1 
4 x+1/2,y+1/2,z,+1 
5 x,y,z+1/2,-1 
6 x,y+1/2,z,-1 
7 x+1/2,y,z,-1 
8 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
_atom_site_occupancy
Pb1 Pb 0.00000 0.00000 0.00000 0.8
Bi1 Bi 0.00000 0.00000 0.00000 0.2
Fe1 Fe 0.25000 0.25000 0.25000 0.728
W1 W 0.25000 0.25000 0.25000 0.264
O1_1 O 0.00000 0.25000 0.25000 1.
O1_2 O  0.25000 0.25000 0.00000 1.

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
Fe1 0.00000 0.00000 1.40(2) 0,0,mz 1.40(2)

