#\#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     172
_experiment_temperature     140

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+ 1 1 . primary 7 .

_exptl_crystal_magnetic_properties_details
;
NPD
Ferromagnet along a in the standard MSG setting used (a in the parent Pmmn structure)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep active
;

_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]

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


_space_group_magn.number_BNS  59.410
_space_group_magn.name_BNS  "P m m' n'"
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 7.31474
_cell_length_b                 7.26400
_cell_length_c                 7.77047
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_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+1/2,-y,-z,+1 
3 -x,-y,-z,+1 
4 -x+1/2,y,z,+1 
5 -x,y+1/2,-z,-1 
6 -x+1/2,-y+1/2,z,-1 
7 x,-y+1/2,z,-1 
8 x+1/2,y+1/2,-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
_atom_site_occupancy
Er1 Er 0.25000 0.75000 0.22155 1.00000
Er2 Er 0.25000 0.75000 0.71656 1.00000
Cu1 Cu 0.25000 0.25000 0.26921 0.76120
Mn1 Mn 0.25000 0.25000 0.26921 0.23880
Mn2 Mn 0.25000 0.25000 0.75880 0.76120
Cu2 Cu 0.25000 0.25000 0.75880 0.23880
Mn3 Mn 0.00000 0.00000 0.00000 1.00000
Mn4 Mn 0.00000 0.00000 0.50000 1.00000
O1 O 0.43760 0.06120 0.26692 1.00000
O2 O 0.25000 0.55871 -0.04130 1.00000
O3 O 0.03348 0.25000 -0.07824 1.00000
O4 O 0.25000 0.03428 0.58121 1.00000
O5 O -0.06471 0.25000 0.54143 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
Mn2 -2.15 0.0 0.0 Mx,0,0 2.15 ? ?
Mn3 2.28 -0.19 0.0 Mx,My,Mz 2.29 ? ?
Mn4 1.31 0.0 0.0 Mx,My,Mz 1.31 ? ?

