#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/02/2021 

data_5yOhtAoR
_audit_creation_date            2021-03-02
_audit_creation_method          "Bilbao Crystallographic Server"


_citation_journal_abbrev        "J. Phys. F: Met. Phys."
_citation_journal_volume        12
_citation_page_first            223
_citation_page_last             232
_citation_article_id            .
_citation_year                  1982
_citation_DOI                   10.1088/0305-4608/12/1/019

loop_
_citation_author_name
"F Vigneron"
"M Bonnett"
"A Herr"
"J Schweizer"

_atomic_positions_source_database_code_ICSD  616277
_atomic_positions_source_other               .

_transition_temperature     27(3)
_experiment_temperature     3

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mDT5  12  2  special  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure, except cell parameters, not given. Here it is taken one determined at 300K by another study
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
4-dim extended (k,-k) small irrep along a special direction as primary
k-maximal magnetic symmetry
The full FM arrangement within the (0 0 1) layers is not symmetry-forced, neither by the active irrep, nor by the magnetic symmetry. It has been assumed by the model reducing the number of free parameters from 2 to 1.
;

_parent_space_group.name_H-M_alt  'F m -3 c'
_parent_space_group.IT_number                       226
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

_cell_modulation_dimension               1

loop_
_cell_wave_vector_seq_id
_cell_wave_vector_x
_cell_wave_vector_y
_cell_wave_vector_z
1 0.00000 0.00000 0.284(2)


_parent_space_group.child_transform_Pp_abc  ?

_space_group.magn_ssg_name  "I4221'(0,0,g)q00s"
_space_group.magn_point_group_name  "4221'"
_space_group.magn_point_group_number  12.2.41
_cell_length_a                 10.25000
_cell_length_b                 10.25000
_cell_length_c                 10.25000
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              90.00000

loop_
_space_group_symop_magn_ssg_operation.id
_space_group_symop_magn_ssg_operation.algebraic
1 x1,x2,x3,x4,+1
2 x2+1/2,x1+1/2,-x3+1/2,-x4+3/4,+1
3 -x2,-x1,-x3+1/2,-x4+1/4,+1
4 -x1+1/2,-x2+1/2,x3,x4+1/2,+1
5 -x1+1/2,x2,-x3+1/2,-x4,+1
6 x2+1/2,-x1,x3,x4+3/4,+1
7 -x2,x1+1/2,x3,x4+1/4,+1
8 x1,-x2+1/2,-x3+1/2,-x4+1/2,+1

loop_
_space_group_symop_magn_ssg_centering.id
_space_group_symop_magn_ssg_centering.algebraic
1 x1,x2,x3,x4,+1
2 x1,x2,x3,x4+1/2,-1
3 x1,x2+1/2,x3+1/2,x4,+1
4 x1,x2+1/2,x3+1/2,x4+1/2,-1
5 x1+1/2,x2,x3+1/2,x4,+1
6 x1+1/2,x2,x3+1/2,x4+1/2,-1
7 x1+1/2,x2+1/2,x3,x4,+1
8 x1+1/2,x2+1/2,x3,x4+1/2,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Gd1_1 Gd 0.75000 0.25000 0.25000 1
Gd1_2 Gd 0.75000 0.25000 0.75000 1
Be1_1 Be 0.00000 0.00000 0.50000 1
Be2_1 Be 0.00000 0.32200 0.61500 1
Be2_2 Be 0.61500 0.00000 0.67800 1
Be2_3 Be 0.67800 0.88500 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
Gd1_1 0.00000 0.00000 0.00000 0,0,0
Gd1_2 0.00000 0.00000 0.00000 0,0,0

loop_
_atom_site_Fourier_wave_vector.seq_id
_atom_site_Fourier_wave_vector.q1_coeff
1 1

loop_
_atom_site_moment_Fourier.atom_site_label
_atom_site_moment_Fourier.axis
_atom_site_moment_Fourier.wave_vector_seq_id
_atom_site_moment_Fourier_param.cos
_atom_site_moment_Fourier_param.sin
_atom_site_moment_Fourier_param.cos_symmform
_atom_site_moment_Fourier_param.sin_symmform
Gd1_1 x 1 0.00000 -6.6    0 -myc1
Gd1_1 y 1 6.6(1)  0.00000 myc1 0
Gd1_1 z 1 0.00000 0.00000 0 0
Gd1_2 x 1 0.00000 -6.6    0 -myc1
Gd1_2 y 1 6.6     0.00000 myc1 0
Gd1_2 z 1 0.00000 0.00000 0 0

