#\#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"

_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  195628
_atomic_positions_source_other               .

_transition_temperature  75
_experiment_temperature  50

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1+  1  1  .  primary  9   .
mGM2+  1  1  .  primary  9   .

_exptl_crystal_magnetic_properties_details
;
NPD
Non-standard parent setting P2_1/n
Ferrimagnetic 
The transition giving place to this phase is reported to happen at 75K. There is however no symmetry break between this structure and those reported at 100K and 150K (see #0.543 and #0.542). The additional non-zero values of Mn, Fe, Re moment components along a and b, present in this structure at 1.7K and 50K do not decrease further the symmetry, so that the transition would be isosymmetric.
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two 1-dim irreps involved as primary. This means that two order parameters are present. One for the ordering of the Fe and Re moments and the y commponent of the Mn moment, and a second one with a different irrep for the arrangement of the Mn moments along a and c. At 300K, Mn moments are reported to be zero (see #0.541) and a single irrep is involved. 
At 150K and 100K the reported magnetic structures (see #0.543 and #0.542)already involve the two irreps. This implies that a symmetry breaking transition would be taking place between 300K and 150K.
;

_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,c;0,0,0'



_space_group_magn.number_BNS  2.4
_space_group_magn.name_BNS  "P -1"
_cell_length_a             5.1840(2)
_cell_length_b             5.3423(1)
_cell_length_c             7.5636(2)
_cell_angle_alpha          90.00
_cell_angle_beta           90.029(7)
_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 

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_1 Mn 0.496(1) 0.5632(7) 0.7530(2)
Mn1_2 Mn  0.0040 0.0632 0.7470
Fe1_1 Fe 0.50000 0.00000 0.50000
Fe1_2 Fe  0.00000 0.50000 0.00000
Re1_1 Re 0.50000 0.00000 0.00000
Re1_2 Re  0.00000 0.50000 0.50000
O1_1 O 0.319(1) 0.285(8) 0.9294(1)
O1_2 O  0.1810 0.7850 0.5706
O2_1 O 0.323(1) 0.3325(9) 0.5638(9)
O2_2 O  0.177 0.8325 0.9362
O3_1 O 0.8738(6) 0.4391(6) 0.7709(7)
O3_2 O  0.6262 0.9391 0.7291



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_1 1.77(4) 2.27(3) 2.19(4) mx,my,mz       3.62(2)
Mn1_2 -1.77 -2.27 -2.19 mx,my,mz             3.62
Fe1_1 3.19(6) -0.56(5) 3.24(7) mx,my,mz      4.58(6)
Fe1_2 3.19 0.56 3.24 mx,my,mz                4.58
Re1_1 -0.56(4) -0.10(1) -0.57(4) mx,my,mz    0.80(5)
Re1_2 -0.56 0.10 -0.57 mx,my,mz              0.80


