#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/16/2026

data_5yOhtAoR
_audit_creation_date            2026-01-16
_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                    "Er1 B4"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        112
_citation_page_first            .
_citation_page_last             .
_citation_article_id            224441
_citation_year                  2025
_citation_DOI                   10.1103/m3wx-4v6k

loop_
_citation_author_name
"Simon Flury"
"Wolfgang J. Simeth"
"Danielle R. Yahne"
"Manisha Islam"
"Igor Plokhikh"
"Daniel G. Mazzone"
"Eric D. Bauer"
"Priscila F. S. Rosa"
"Romain Sibille"
"Oksana Zaharko"
"Dariusz J. Gawryluk"
"Marc Janoschek"

_temperature_position_structure         .
_temperature_atom_positions             20
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            293

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     15.4
_experiment_temperature     1.8

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5- 2 2 special primary 1 .
mGM3+ 1 1 . primary 1  .
mGM2+ 1 1 . secondary? 1 yes

_exptl_crystal_magnetic_properties_details
;
NSD
Structure under a magnetic field H=3T along the c axis. The flipping transition to this structure from the non-FM zero-field structure (entry #0.1124) takes place at a H = 1.9T 
FM structure along c
Positions from a determination at 20K (zero field), but cell parameters are not reported and are from the room temperature determination with X-ray (also zero field).
;

_active_magnetic_irreps_details
;
1k magnetic structure
;

_parent_space_group.name_H-M_alt  'P 4/m b m'
_parent_space_group.IT_number                       127
_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  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '-c,a+b,a-b;1/4,1/4,0'


_space_group_magn.number_BNS  38.190
_space_group_magn.name_BNS  "A m m' 2'"
_space_group_magn.point_group_name  "m'm2'"
_space_group_magn.point_group_number  "7.3.22"
_cell_length_a                 7.07790
_cell_length_b                 7.07790
_cell_length_c                 4.00370
_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 -y+1/2,-x+1/2,-z,-1 
4 -y+1/2,-x+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_1 Er 0.31930 0.81930 0.00000 1
Er1_2 Er 0.18070 0.31930 0.00000 1
Er1_3 Er 0.81930 0.68070 0.00000 1
B1 B 0.00000 0.00000 0.20450 1
B2_1 B 0.08490 0.58490 0.50000 1
B2_2 B 0.41510 0.08490 0.50000 1
B2_3 B 0.58490 0.91510 0.50000 1
B3_1 B 0.17670 0.04000 0.50000 1
B3_2 B 0.82330 0.96000 0.50000 1
B3_3 B 0.96000 0.17670 0.50000 1
B3_4 B 0.04000 0.82330 0.50000 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_1 0.0 0.0 8.96 0,0,mz 8.96 ? ?
Er1_2 0.0 0.0 8.96 0,0,mz 8.96 ? ?
Er1_3 0.0 0.0 -8.96 0,0,mz 8.96 ? ?

