#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 12/28/2024

data_5yOhtAoR
_audit_creation_date            2024-12-28
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    "Er2 Cu Mn5 O12"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Acta Cryst. B"
_citation_journal_volume        80
_citation_page_first            656
_citation_page_last             664
_citation_article_id            .
_citation_year                  2024
_citation_DOI                   10.1107/S2052520624008965

loop_
_citation_author_name
"John M. Attah-Baah"
"Dmitry D. Khalyavin"
"Pascal Manuel"
"Nilson S. Ferreira"
"Alexei A. Belik"
"Roger D. Johnson"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     7
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+ 1 1 . primary 10 .
mZ4+ 1 1 . primary 7 .
mZ3+ 1 1 . primary 7 .
GM3+ 1 1 . secondary 10 yes

_exptl_crystal_magnetic_properties_details
;
NPD
FM on the plane xz in the MSG standard setting that is used (xy plane in the parent Pmmn setting)
The Figure in the article does not seem to coincide fully with the structure described by the mcif file in its supplemental material. The mcif file has been assumed to be correct.
;

_active_magnetic_irreps_details
;
2k magnetic structure with symmetry unrelated propagation vectors
Four 1-dim irreps active, one of them secondary.
;

_parent_space_group.name_H-M_alt  'P m m n'
_parent_space_group.IT_number                       59
_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]
k2 [0 0 1/2]

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


_space_group_magn.number_BNS  13.69
_space_group_magn.name_BNS  "P 2'/c'"
_space_group_magn.point_group_name  "2'/m'"
_space_group_magn.point_group_number  "5.5.16"
_cell_length_a                 7.26511
_cell_length_b                 15.53073
_cell_length_c                 10.30670
_cell_angle_alpha              90.00000
_cell_angle_beta               134.82079
_cell_angle_gamma              90.00000

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,y,-z+1/2,-1 
4 x,-y,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
_atom_site_occupancy
Er1_1 Er 0.00000 0.61077 0.25000 1.00000
Er1_2 Er 0.00000 0.11077 0.25000 1.00000
Er2_1 Er 0.00000 0.35828 0.25000 1.00000
Er2_2 Er 0.00000 0.85828 0.25000 1.00000
Cu1_1 Cu 0.50000 0.63461 0.25000 0.76120
Mn1_1 Mn 0.50000 0.63461 0.25000 0.23880
Cu1_2 Cu 0.50000 0.13461 0.25000 0.76120
Mn1_2 Mn 0.50000 0.13461 0.25000 0.23880
Mn2_1 Mn 0.50000 0.87940 0.25000 0.76120
Cu2_1 Cu 0.50000 0.87940 0.25000 0.23880
Mn2_2 Mn 0.50000 0.37940 0.25000 0.76120
Cu2_2 Cu 0.50000 0.37940 0.25000 0.23880
Mn3_1 Mn 0.00000 0.00000 0.00000 1.00000
Mn3_2 Mn 0.00000 0.50000 0.00000 1.00000
Mn3_3 Mn 0.50000 0.00000 0.00000 1.00000
Mn3_4 Mn 0.50000 0.50000 0.00000 1.00000
Mn4_1 Mn 0.00000 0.25000 0.50000 1.00000
Mn4_2 Mn 0.50000 0.25000 0.50000 1.00000
O1 O 0.49880 0.13346 0.43760 1.00000
O2 O 0.12360 0.86654 0.56240 1.00000
O3 O 0.49880 0.63346 0.43760 1.00000
O4 O 0.12360 0.36654 0.56240 1.00000
O5 O 0.19129 0.02065 0.75000 1.00000
O6 O 0.19129 0.52065 0.75000 1.00000
O7 O 0.28348 -0.03912 0.03348 1.00000
O8 O 0.28348 0.46088 0.03348 1.00000
O9 O 0.71572 0.20939 0.75000 1.00000
O10 O 0.71572 0.70939 0.75000 1.00000
O11 O 0.18529 0.77072 -0.06471 1.00000
O12 O 0.18529 0.27072 -0.06471 1.00000

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
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Er1_1 3.96 0.0 0.0 Mx,0,Mz 3.96 ? ?
Er1_2 -3.96 0.0 0.0 Mx,0,Mz 3.96 ? ?
Er2_1 -7.31 0.0 -10.37 Mx,0,Mz 7.35 ? ?
Er2_2 -7.31 0.0 -10.37 Mx,0,Mz 7.35 ? ?
Mn2_1 -3.21 0.0 -4.55 Mx,0,Mz 3.23 ? ?
Mn2_2 -3.21 0.0 -4.55 Mx,0,Mz 3.23 ? ?
Mn3_1 4.18 -0.93 2.70 Mx,My,Mz 3.12 ? ?
Mn3_2 -0.38 0.93 2.70 Mx,My,Mz 3.12 ? ?
Mn3_3 -0.38 -0.93 2.70 Mx,My,Mz 3.12 ? ?
Mn3_4 4.18 0.93 2.70 Mx,My,Mz 3.12 ? ?
Mn4_1 2.69 0.0 3.81 Mx,My,Mz 2.70 ? ?
Mn4_2 2.69 0.0 3.81 Mx,My,Mz 2.70 ? ?

