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

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        15
_citation_page_first            181
_citation_page_last             192
_citation_article_id            .
_citation_year                  1985
_citation_DOI                   10.1088/0305-4608/15/1/020

loop_
_citation_author_name
"F Vigneron"
"M Bonnet"
"J Chappert"

_atomic_positions_source_database_code_ICSD  58707
_atomic_positions_source_other               .

_transition_temperature  10.0(5)
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mDT5  12  2  special  primary  4  .
mX5-   6  2  special  secondary 1  yes
mX5+   6  2  special  secondary 1  no

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

_active_magnetic_irreps_details
;
1k magnetic structure
4-dim extended (k,-k) small irrep as primary, with a secondary irrep component with k=(0,0,1) also present (third harmonic).
The assumption of equal magnitude of all moments forces the presence of the third harmonic. 
Possible multi-k arrangements for the same primary irrep were not considered 
Not clear if all other possible 1k spin arrangements of higher symmetry for the same primary irrep were checked.
;

_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'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 1/3]

_parent_space_group.child_transform_Pp_abc  'a,b,3c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,3/4,1/12'



_space_group_magn.number_BNS  20.37
_space_group_magn.name_BNS  "C_A 222_1"
_cell_length_a             10.21000
_cell_length_b             10.21000
_cell_length_c             30.63000
_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+1/2,-z+1/6,+1 
3 -x,y,-z+2/3,+1 
4 -x,-y+1/2,z+1/2,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x+1/2,y+1/2,z,+1 
3 x,y+1/2,z+1/2,-1 
4 x+1/2,y,z+1/2,-1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Be1_1 Be 0.00000 0.00000 0.00000
Be1_2 Be  0.50000 0.50000 0.16667
Be1_3 Be  0.00000 0.00000 0.33333
Be1_4 Be  0.50000 0.00000 0.33333
Be2_1 Be 0.00000 0.11500 0.05917
Be2_2 Be  0.00000 0.11500 0.94083
Be2_3 Be  0.17750 0.00000 0.03833
Be2_4 Be  0.17750 0.00000 0.96167
Be2_5 Be  0.11500 0.17750 0.00000
Be2_6 Be  0.88500 0.17750 0.00000
Be2_7 Be  0.61500 0.50000 0.10750
Be2_8 Be  0.61500 0.50000 0.22583
Be2_9 Be  0.50000 0.67750 0.12833
Be2_10 Be  0.50000 0.67750 0.20500
Be2_11 Be  0.67750 0.61500 0.16667
Be2_12 Be  0.67750 0.38500 0.16667
Be2_13 Be  0.00000 0.11500 0.39250
Be2_14 Be  0.17750 0.00000 0.37167
Be2_15 Be  0.11500 0.17750 0.33333
Be2_16 Be  0.61500 0.00000 0.27417
Be2_17 Be  0.50000 0.17750 0.29500
Be2_18 Be  0.67750 0.11500 0.33333
Dy1_1 Dy 0.25000 0.25000 0.08333
Dy1_2 Dy  0.75000 0.75000 0.25000
Dy1_3 Dy  0.25000 0.75000 0.25000
Dy1_4 Dy  0.75000 0.25000 0.08333

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
Dy1_1 8.5(1) 0.00000 0.00000 mx,0,0    8.5(1)
Dy1_2 1.48 8.37 0.00000 mx,my,0        8.5
Dy1_3 1.48 8.37 0.00000 mx,my,0        8.5
Dy1_4 8.5(1) 0.00000 0.00000 mx,0,0    8.5

