#\#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        32
_citation_page_first            301
_citation_page_last             304
_citation_article_id            .
_citation_year                  1971
_citation_DOI                   10.1051/jphys:01971003204030100 

loop_
_citation_author_name
"B. Van Laar"
"J.B.A.A. Elemans"

_atomic_positions_source_database_code_ICSD  16507
_atomic_positions_source_other               .

_transition_temperature  2.2
_experiment_temperature  1.2

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_detai3ls
;
NPD
Non-standard parent setting Pbnm
This model claims to correct the one proposed in 1968 (see #2.64) for the same phase
Below 146K (up to 2.2K) only Cr atoms are magnetically ordered according to the irrep mGM2+ with k=0 (see #0.592)
Some of the signs of the moment components of Dy1_1 in the table of the paper are not consistent with the figure in the same reference. The signs corresponding to the figure have been assumed correct.
The relative sign of the Cr ordering along c with respect to that of Dy on the ab plane 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 (k=0) and one for Dy (k=(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 three free parameters, which have been fit.
;

_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,b;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             10.51600
_cell_length_b             11.02800
_cell_length_c             7.53600
_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 -0.00150 0.0340 0.25000
Dy1_2 Dy 0.49850 0.03400 0.25000
Dy1_3 Dy 0.75150 0.28400 0.25000
Dy1_4 Dy 0.74850 0.21600 0.75000
O1_1 O 0.05400 0.23350 0.25000
O1_2 O 0.30400 0.01650 0.75000
O1_3 O 0.94600 0.76650 0.75000
O1_4 O 0.19600 0.48350 0.25000
O2_1 O 0.34850 0.15050 0.05600
O2_2 O 0.59850 0.09950 0.94400
O2_3 O 0.65150 0.84950 0.55600
O2_4 O 0.90150 0.40050 0.44400

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 2.7(1) mx,my,mz     2.7(1)
Cr1_2 0.00000 0.00000 -2.7 mx,my,mz       2.7
Cr1_3 0.00000 0.00000 2.7 mx,my,mz        2.7
Cr1_4 0.00000 0.00000 -2.7 mx,my,mz       2.7
Dy1_1 -4.2(2) 7.5(1) 0.00000  mx,my,0     8.5(1)
Dy1_2 4.2 -7.5 0.00000 mx,my,0            8.5
Dy1_3 -4.2  -7.5 0.00000 mx,my,0          8.5
Dy1_4 4.2  7.5 0.00000 mx,my,0            8.5



