#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/27/2021

data_5yOhtAoR
_audit_creation_date            2021-11-27
_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                    "Er Mn2 Si2"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?

_citation_journal_abbrev        "Journal of Magnetism and Magnetic Materials"
_citation_journal_volume        40
_citation_page_first            265
_citation_page_last             270
_citation_article_id            .
_citation_year                  1984
_citation_DOI                   10.1016/0304-8853(84)90317-2

loop_
_citation_author_name
"J. Leciejewicz"
"S. Siek"
"A. Szytula"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  55771
_atomic_positions_source_other               .

_transition_temperature     10(5)
_experiment_temperature     1.8

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM1- 1 1 . primary 1 .
mGM5+ 2 2 special primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
Transition temperature of the Mn ordering is not specified.
Er moments order below 10(5)K according to a FM arrangement on the ab plane. The moments direction on this plane is undetermined. A direction of maximal symmetry is assumed. An alternative possible direction of maximal symmetry with different MSG is the (1,1,0) direction.
;

_active_magnetic_irreps_details
;
2k magnetic structure
Mn and Er moments order separately according to two different irreps with different wave vectors.
;

_parent_space_group.name_H-M_alt  'I 4/m m m'
_parent_space_group.IT_number                       139
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1 1 1]
k2 [0 0 0]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'c,b,-a;1/4,1/4,1/4'

_space_group_magn.number_BNS  59.409
_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                 3.913(4)
_cell_length_b                 3.913(4)
_cell_length_c                 10.437(7)
_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,-z,+1 
3 -x+1/2,-y+1/2,-z+1/2,+1 
4 -x+1/2,y+1/2,z+1/2,+1 
5 -x+1/2,-y+1/2,z+1/2,-1 
6 -x+1/2,y+1/2,-z+1/2,-1 
7 x,y,-z,-1 
8 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
_atom_site_occupancy
Er1 Er 0.00000 0.00000 0.00000 1
Mn1 Mn 0.00000 0.50000 0.25000 1
Si1 Si 0.00000 0.00000 0.3735(22) 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
_atom_site_moment.magnitude
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Er1 8.9(2) 0.0 0.0 mx,0,0 8.9(2) ? ?
Mn1 0.0 0.0 2.30(13) mx,0,mz 2.30(13) ? ?

