#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 25/08/2019


data_5yOhtAoR
_audit_creation_date            2019-08-25
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Phys. Rev. B"
_citation_journal_volume        44
_citation_page_first            4716
_citation_page_last             4719
_citation_article_id            ?
_citation_year                  1991
_citation_DOI                   10.1103/PhysRevB.44.4716

loop_
_citation_author_name
"J.L. Garcia-Muoz"
"J. Rodriguez-Carvajal"
"X. Obradors"
"M. Vallet-Reg"
"J. Gonzalez-Calbet"
"M. Parras"



_atomic_positions_source_database_code_ICSD  79432
_atomic_positions_source_other               .

_transition_temperature  8.5
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mT1  2  2  special  primary  24  .

_exptl_crystal_magnetic_properties_details
;
NPD
Above 8.5K and below 13.5K only Cu spins are ordered
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (2 possible)
2-dim irrep active along a special direction
;

_parent_space_group.name_H-M_alt  'P n a 2_1'
_parent_space_group.IT_number                       33
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

_parent_space_group.child_transform_Pp_abc  'a,2b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '-b,a,-1/2b+1/2c;3/4,0,1/4'



_space_group_magn.number_BNS  7.27
_space_group_magn.name_BNS  "P_a c"
_cell_length_a             10.72900
_cell_length_b             6.87100
_cell_length_c             24.70620
_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+3/4,z+1/4,+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,y+1/2,z,-1
4 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_1 Yb 0.20880 0.11345 0.00000
Yb1_2 Yb  0.79120 0.88655 0.25000
Yb2_1 Yb 0.04160 0.11155 0.16520
Yb2_2 Yb  0.95840 0.88845 0.41520
Cu1_1 Cu 0.99070 0.33050 0.05650
Cu1_2 Cu  0.00930 0.66950 0.30650
Cu2_1 Cu 0.26080 0.33050 0.10850
Cu2_2 Cu  0.73920 0.66950 0.35850
O1_1 O 0.17400 0.36450 0.17850
O1_2 O  0.82600 0.63550 0.42850
O2_1 O 0.32300 0.35900 0.03200
O2_2 O  0.67700 0.64100 0.28200
O3_1 O 0.12500 0.15650 0.08250
O3_2 O  0.87500 0.84350 0.33250
O4_1 O 0.42800 0.38900 0.13150
O4_2 O  0.57200 0.61100 0.38150
O5_1 O 0.42500 0.11400 0.23800
O5_2 O  0.57500 0.88600 0.48800

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 0.6(1) 1.2(1) 0.00000 mx,my,mz
Yb1_2 0.6 1.2 0.00000 mx,my,mz
Yb2_1 -0.6 1.2 0.00000 mx,my,mz
Yb2_2 -0.6 1.2 0.00000 mx,my,mz
Cu1_1 0.00000 -1.1(1) 0.00000 mx,my,mz
Cu1_2 0.00000 -1.1 0.00000 mx,my,mz
Cu2_1 0.00000 -1.1 0.00000 mx,my,mz
Cu2_2 0.00000 -1.1 0.00000 mx,my,mz
