#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 27/06/2021 

data_5yOhtAoR
_audit_creation_date            2021-06-27
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        78
_citation_page_first            .
_citation_page_last             .
_citation_article_id            064515
_citation_year                  2008
_citation_DOI                   10.1103/PhysRevB.78.064515

loop_
_citation_author_name
"Y. Chen"
"J. W. Lynn"
"J. Li"
"G. Li"
"G. F. Chen"
"J. L. Luo"
"N. L. Wang"
"P. Dai"
"C. dela Cruz"
"H. A. Mook"

_atomic_positions_source_database_code_ICSD  164680
_atomic_positions_source_other               .

_temperature_position_structure         1.6
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_transition_temperature  141(6)
_experiment_temperature  30

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mT4+  1  1  .  primary 2  .

_exptl_crystal_magnetic_properties_details
;
NPD
The direction of the Fe moments on the plane is undetermined. Here the direction a is assumed, which the paper mentions as "preferred" according to "recent work".
Position structure is not given. Here that reported by another study at 1.6K is used.
;

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

_parent_space_group.name_H-M_alt  'C m m e'
_parent_space_group.IT_number                       67
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

_parent_space_group.child_transform_Pp_abc  'a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'

_space_group_magn.number_BNS  73.553
_space_group_magn.name_BNS  "I_c b c a"
_cell_length_a             5.61540
_cell_length_b             5.58560
_cell_length_c             17.11820
_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,-z+1/2,+1 
3 -x+1/2,y,-z,+1 
4 -x,-y+1/2,z,+1 
5 -x,-y,-z,+1 
6 -x,y,z+1/2,+1 
7 x+1/2,-y,z,+1 
8 x,y+1/2,-z,+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+1/2,+1 
3 x,y,z+1/2,-1 
4 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
Nd1 Nd 0.00000 0.25000 0.06950
Fe1 Fe 0.25000 0.00000 0.25000
As1 As 0.00000 0.25000 0.32935
O1 O 0.25000 0.00000 0.00000

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
Nd1 0.00000 0.00000 0.00000 0,0,mz  0.0
Fe1 0.25(7) 0.00000 0.00000 mx,0,0  0.25(7)

