#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 23/02/2021 

data_5yOhtAoR
_audit_creation_date            2021-02-23
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Angew. Chem. Int. Ed."
_citation_journal_volume        54
_citation_page_first            12074
_citation_page_last             12077
_citation_article_id            .
_citation_year                  2015
_citation_DOI                   10.1002/anie.201506540

loop_
_citation_author_name
"A. M. Arevalo-Lopez"
"G. M. McNally"
"J. P. Attfield"

_atomic_positions_source_database_code_ICSD  195632
_atomic_positions_source_other               .

_transition_temperature  520
_experiment_temperature  300

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1+  1  1  .  primary  9   .

_exptl_crystal_magnetic_properties_details
;
NPD
Non-standard parent setting P2_1/n
Ferrimagnetic on the plane xz
Other phase below 75K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary
;

_parent_space_group.name_H-M_alt  'P 2_1/c'
_parent_space_group.IT_number                       14
_parent_space_group.transform_Pp_abc  'a,b,-a+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,-a+c;0,0,0'



_space_group_magn.number_BNS  14.79
_space_group_magn.name_BNS  "P 2_1'/c'"
_cell_length_a             5.1965(2)
_cell_length_b             5.3532(2)
_cell_length_c             7.5798(2)
_cell_angle_alpha          90.00
_cell_angle_beta           89.99(1)
_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,-z,+1 
3 -x+1/2,y+1/2,-z+1/2,-1 
4 x+1/2,-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 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1 Mn 0.487(1) 0.5637(8) 0.756(3)
Fe1 Fe 0.50000 0.00000 0.50000
Re1 Re 0.50000 0.00000 0.00000
O1 O 0.322(2) 0.29882 0.935(1)
O2 O 0.315(2) 0.323(2) 0.565(1)
O3 O 0.8716(6) 0.4428(6) 0.7666(9)

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
Mn1 0.00000 0.00000 0.00000 mx,my,mz    0.0
Fe1 0.00000 0.00000 3.48(6) mx,my,mz    3.48(6)
Re1 0.00000 0.00000 -0.48(6) mx,my,mz   0.48(6)

