#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/29/2026

data_5yOhtAoR
_audit_creation_date            2026-03-29
_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 Be2 Ge1 O7"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW X"
_citation_journal_volume        15
_citation_page_first            .
_citation_page_last             .
_citation_article_id            041045
_citation_year                  2025
_citation_DOI                   10.1103/9ynf-xx1t

loop_
_citation_author_name
"?"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    293
_temperature_cell_parameters            0.3

_atomic_positions_source_database_code_ICSD  111784
_atomic_positions_source_other               .

_transition_temperature     0.9
_experiment_temperature     0.3

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5 2 2 special primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure is not provided, except for the Er atoms and the cell paramters. The rest is completed here from a model at room temperature retrieved from the ICSD.
;

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

_parent_space_group.name_H-M_alt  'P -4 2_1 m'
_parent_space_group.IT_number                       113
_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  'a,b,c;0,0,0'


_space_group_magn.number_BNS  18.19
_space_group_magn.name_BNS  "P 2_1 2_1' 2'"
_space_group_magn.point_group_name  "2'2'2"
_space_group_magn.point_group_number  "6.3.19"
_cell_length_a                 7.377
_cell_length_b                 7.377
_cell_length_c                 4.777
_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+1/2,-y+1/2,-z,+1 
3 -x+1/2,y+1/2,-z,-1 
4 -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 0.33977 0.84176 0.50812 1
Be1 Be 0.13400 0.63400 0.94000 1
Ge1 Ge 0.00000 0.00000 0.00000 1
O1 O 0.00000 0.50000 0.81200 1
O2 O 0.14500 0.64500 0.28000 1
O3_1 O 0.08600 0.82500 0.79000 1
O3_2 O 0.82500 0.91400 0.21000 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 -2.03 -2.03 6.44 mx,my,mz ? ? ?

