#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 22/06/2020


data_5yOhtAoR
_audit_creation_date            2020-06-22
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        69
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            104408
_citation_year                  2004
_citation_DOI                   10.1103/PhysRevB.69.104408

loop_
_citation_author_name
"L. Pinsard-Gaudart"
"J. Rodriguez-Carvajal"
"A. Gukasov"
"P. Monod"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  41
_experiment_temperature  7

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mP2  4  2  special  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (6 possible)
4-dim irrep as primary. The active irrep can result in spin arrangements with 11 different possible MSGs (10 epikernels and 1 kernel)
The model reported corresponds to one of the four epikernels of maximal symmetry when small deviations within the standard deviations are disregarded.
The other possible symmetries for the same irrep do not seem to have been considered and checked.
;

_parent_space_group.name_H-M_alt  'I 4_1/a m d'
_parent_space_group.IT_number                       141
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

_parent_space_group.child_transform_Pp_abc  '2a,2b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/2a-1/2b,1/2a+1/2b,c;1/2,5/8,3/16'



_space_group_magn.number_BNS  121.332
_space_group_magn.name_BNS  "I_c -4 2 m"
_cell_length_a             11.644
_cell_length_b             11.644
_cell_length_c             19.888
_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 -y+1/8,-x+1/8,-z+3/8,+1
3 y+7/8,x+1/8,-z+3/8,+1
4 -x,-y+1/4,z,+1
5 y+7/8,-x+1/8,-z+3/8,+1
6 -y+1/8,x+1/8,-z+3/8,+1
7 -x,y,z,+1
8 x,-y+1/4,z,+1

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1_1 Cu 0.00000 0.00000 0.00000
Cu1_2 Cu  0.25000 0.00000 0.25000
Cu2_1 Cu 0.00000 0.00000 0.25000
Cu2_2 Cu  0.25000 0.00000 0.00000
O1_1 O 0.00000 0.12500 0.0581
O1_2 O  0.00000 0.37500 0.1831
O1_3 O  0.25000 0.37500 0.0669
O1_4 O  0.25000 0.12500 0.4331
O2_1 O 0.00000 0.12500  0.1875
O2_2 O  0.00000 0.37500 0.3125
O2_3 O  0.25000 0.37500 0.4375

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Cu2_1 -0.46(2) 0.00000 0.00000 mx,0,0
Cu2_2 0.00000 -0.46 0.00000 0,my,mz

