#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 24/03/2021 

data_5yOhtAoR
_audit_creation_date            2021-03-24
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Physique"
_citation_journal_volume        29
_citation_page_first            67
_citation_page_last             73
_citation_article_id            .
_citation_year                  1968
_citation_DOI                   10.1051/jphys:0196800290106700

loop_
_citation_author_name
"E.F. Bertaut"
"J. Mareschal"

_atomic_positions_source_database_code_ICSD  28248
_atomic_positions_source_other               .

_temperature_position_structure         293
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_transition_temperature  2.16
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+ 1  1  .  primary  5  .
mU1-U4- 2  2   general primary 10 .
mGM3+ 1  1  .  secondary 5  no

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 293K
Non-standard parent setting Pbnm
In 1971 a correction to this model was proposed (see #2.63)
Below 146K (up to 2.16K) only Cr atoms are magnetically ordered according to the irrep mGM2+ with k=0 (see #0.592)
The relative sign of the Cr ordering along c with respect to that of Dy on the ab plane (Pbnm setting) is irrelevant, as both possibilties correspond to equivalent domain-related configurations.
;

_active_magnetic_irreps_details
;
2k magnetic structure
Two irreps as primary. One for the Cr order (k1=0) and one for Dy (k2=(1/2,1/2,0) in the parent setting Pbnm)
A third irrep as secondary. Not present in the spin arrangement.
Irrep labels according to the standard setting Pnma for the parent space group (k2=(1/2,0,1/2) in this setting)
FM on the plane ac (ab in the standard Pnma setting). Weak FM to be expected on this plane.
The MSG has 20 degrees of freedom, which are reduced to 15 if constrained to the two primary irreps. The model has however only four free parameters.
;

_parent_space_group.name_H-M_alt  'P b n m'
_parent_space_group.IT_number                       62
_parent_space_group.transform_Pp_abc  'b,c,a;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]
k2 [1/2 1/2 0]

_parent_space_group.child_transform_Pp_abc  '2a,2b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/2a+1/2b,c,1/2a-1/2b;1/4,0,0'



_space_group_magn.number_BNS  11.54
_space_group_magn.name_BNS  "P 2_1'/m'"
_cell_length_a             10.52600
_cell_length_b             11.04000
_cell_length_c             7.55200
_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,-z,+1 
3 -x+1/2,-y,z+1/2,-1 
4 x,y,-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 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cr1_1 Cr 0.25000 0.00000 0.00000
Cr1_2 Cr  0.00000 0.25000 0.00000
Cr1_3 Cr  0.75000 0.00000 0.00000
Cr1_4 Cr  0.50000 0.25000 0.00000
Dy1_1 Dy 0.99400 0.03250 0.25000
Dy1_2 Dy  0.49400 0.03250 0.25000
Dy1_3 Dy 0.75600 0.28250 0.25000
Dy1_4 Dy 0.74400 0.21750 0.75000
O1_1 O 0.29950 0.01600 0.75000
O1_2 O  0.54950 0.23400 0.25000
O1_3 O  0.70050 0.98400 0.25000
O1_4 O  0.95050 0.26600 0.75000
O2_1 O 0.34800 0.15000 0.05000
O2_2 O  0.59800 0.10000 0.95000
O2_3 O  0.65200 0.85000 0.55000
O2_4 O  0.90200 0.40000 0.45000

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
Cr1_1 0.00000 0.00000 2.76(20) mx,my,mz    2.76(20)
Cr1_2 0.00000 0.00000 -2.76 mx,my,mz       2.76
Cr1_3 0.00000 0.00000 2.76 mx,my,mz        2.76
Cr1_4 0.00000 0.00000 -2.76 mx,my,mz       2.76
Dy1_1 9.36 -2.47 0.00000  mx,my,0         9.68
Dy1_2 -9.36 2.47 0.00000 mx,my,0          9.68
Dy1_3 -4.58  -8.53 0.00000 mx,my,0        9.68
Dy1_4 4.58  8.53 0.00000 mx,my,0          9.68

