#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 13/03/2018 00:31:24

data_5yOhtAoR
_audit_creation_date            2018-03-13
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Solid State Communications"
_citation_journal_volume        10
_citation_page_first            735
_citation_page_last             738
_citation_article_id            ?
_citation_year                  1972
_citation_DOI                   10.1016/0038-1098(72)90182-2

loop_
_citation_author_name
"G. Quezel"
"J. Rossat-Mignod"
"H.Y. Lang"




_atomic_positions_source_database_code_ICSD  25811
_atomic_positions_source_other               .

_transition_temperature  ?
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mA3-  2  2  special  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD
unit cell parameters taken from a room-temperature structure (icsd 25811). Atomic positions from reference.
Spin direction on the xy plane is undetermined. Here the spin direction is taken along one of the two non-equivalent directions that maximize the symmetry (the other one is (1,2,0)
Reported moment modulus: 1.6(1). Moment is here decomposed approximately into x,y components, and this introduces a round-up error in the corresponding modulus.
;

_active_magnetic_irreps_details
;
1k magnetic structure
2-dim irrep active, with 3 possible MSGs depending on the OP direction within the 2-dim irrep space. Here the spin direction has been assumed such that one of the high-symmetry MSGs
;

_parent_space_group.name_H-M_alt  'P  -3m  1'
_parent_space_group.IT_number                       164
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

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

_space_group_magn.number_BNS  15.90
_space_group_magn.name_BNS  "C_c2/c"
_cell_length_a             3.76100
_cell_length_b             3.76100
_cell_length_c             13.39400
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -x,-x+y,-z,+1
3 -x,-y,-z+1/2,+1
4 x,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,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
Yb1 Yb 0.33333 0.66667 0.14500
Se1 Se 0.00000 0.00000 0.00000
O1 O 0.33333 0.66667 0.31000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Yb1 1.8 0.9 0.00000 2my,my,mz


