#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 16/05/2020

data_5yOhtAoR
_audit_creation_date            2020-05-16
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        80
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            104405
_citation_year                  2009
_citation_DOI                   10.1103/PhysRevB.80.104405

loop_
_citation_author_name
"M. Hase"
"A. Donni"
"V.Y. Pomjakushin"
"L. Keller"
"F. Gozzo"
"A. Cervellino"
"M. Kohno"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  9.8
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
?  ?  ?  ?  ?  ?  ?

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 15K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep as primary
;

_parent_space_group.name_H-M_alt  'P 2_1/c'
_parent_space_group.IT_number                       14
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]

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



_space_group_magn.number_BNS  14.78
_space_group_magn.name_BNS  "P 2_1/c'"
_cell_length_a             3.40470
_cell_length_b             15.14000
_cell_length_c             9.29800
_cell_angle_alpha          90.00
_cell_angle_beta           92.80
_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+1/2,-z+1/2,+1
3 -x,-y,-z,-1
4 x,-y+1/2,z+1/2,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1 Cu 0.31160 0.53960 0.36870
Cu2 Cu 0.30830 0.74730 0.86990
Cd1 Cd 0.20310 0.36850 0.88360
B1 B 0.19940 0.34580 0.41970
B2 B 0.87440 0.41140 0.18660
O1 O 0.24390 0.27090 0.49240
O2 O 0.31530 0.85230 0.76340
O3 O 0.33340 0.42680 0.46890
O4 O 0.71230 0.37720 0.06240
O5 O 0.06700 0.50310 0.77790
O6 O 0.00580 0.34240 0.28020

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Cu1 0.05(5) -0.44(2) -0.04(4) mx,my,mz
Cu2 -0.16(7) 0.81(2) 0.1(2) mx,my,mz


