#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/12/2020 

data_5yOhtAoR
_audit_creation_date            2020-12-01
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "AIP Conf. Proc."
_citation_journal_volume        1512
_citation_page_first            1132
_citation_page_last             1133
_citation_article_id            .
_citation_year                  2013
_citation_DOI                   10.1063/1.4791446

loop_
_citation_author_name
"S. Rayaprol"
"S. D. Kaushik"
"P. D. Babu"
"V. Siruguri"

_atomic_positions_source_database_code_ICSD  191896
_atomic_positions_source_other               .

_transition_temperature  ?
_experiment_temperature  300

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+  3  3  special  primary  16  .

_exptl_crystal_magnetic_properties_details
;
NPD
Ferrimagnetic
Below 36K the system becomes AFM
;

_active_magnetic_irreps_details
;
1k magneti structure
k-maximal magnetic symmtry
3-dim irrep aong a special direction as primary
;

_parent_space_group.name_H-M_alt  'I a -3'
_parent_space_group.IT_number                       206
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]

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



_space_group_magn.number_BNS  73.551
_space_group_magn.name_BNS  "I b' c' a"
_cell_length_a             9.41080
_cell_length_b             9.41080
_cell_length_c             9.41080
_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+1/2,z,+1 
3 -x,-y,-z,+1 
4 x,y+1/2,-z,+1 
5 x,-y,-z+1/2,-1 
6 -x+1/2,y,-z,-1 
7 -x,y,z+1/2,-1 
8 x+1/2,-y,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
_atom_site_occupancy
Fe1 Fe 0.25000 0.25000 0.25000 0.5
Mn1 Mn 0.25000 0.25000 0.25000 0.5
Fe2_1 Fe 0.97576 0.00000 0.25000 0.5
Fe2_2 Fe  0.25000 0.97576 0.00000 0.5
Fe2_3 Fe  0.00000 0.25000 0.97576 0.5
Mn2_1 Mn 0.97576 0.00000 0.25000 0.5
Mn2_2 Mn  0.25000 0.97576 0.00000 0.5
Mn2_3 Mn  0.00000 0.25000 0.97576 0.5
O1_1 O 0.33510 0.11011 0.12500 1.
O1_2 O  0.12500 0.33510 0.11011 1.
O1_3 O  0.11011 0.12500 0.33510 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
Fe1 0.00000 0.00000 2.48000 mx,my,mz
Mn1 0.00000 0.00000 -1.00000 mx,my,mz
Fe2_1 0.00000 0.00000 3.97000 0,my,mz
Fe2_2 0.00000 0.00000 3.97000 mx,0,mz
Fe2_3 0.00000 0.00000 3.97000 0,0,mz
Mn2_1 0.00000 0.00000 -3.01000 0,my,mz
Mn2_2 0.00000 0.00000 -3.01000 mx,0,mz
Mn2_3 0.00000 0.00000 -3.01000 0,0,mz

