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

data_5yOhtAoR
_audit_creation_date            2018-10-22
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Inorg. Chem."
_citation_journal_volume        52
_citation_page_first            6083
_citation_page_last             6095
_citation_article_id            ?
_citation_year                  2013
_citation_DOI                   10.1021/ic400415h

loop_
_citation_author_name
"J.H. Roudebush"
"N.H. Andersen"
"R. Ramlau"
"V.O. Garlea"
"R. Toft-Petersen"
"P. Norby"
"R. Schneider"
"J.N. Hay"
"R.J. Cava"




_atomic_positions_source_database_code_ICSD  251013
_atomic_positions_source_other               .

_transition_temperature  18.5
_experiment_temperature  4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY2+  1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from data at 298K
;

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

_parent_space_group.name_H-M_alt  'C 2/c'
_parent_space_group.IT_number                       15
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

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



_space_group_magn.number_BNS  14.84
_space_group_magn.name_BNS  "P_C 2_1/c"
_cell_length_a             9.32740
_cell_length_b             5.38530
_cell_length_c             11.91150
_cell_angle_alpha          90.00
_cell_angle_beta           105.13
_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+1/2,-z+1/2,+1
3 -x,-y,-z,+1
4 x+1/2,-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
2 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
_atom_site_occupancy
Co1 Co 0.08330 0.24970 0.49970 0.8803
Sb1 Sb 0.08330 0.24970 0.49970 0.1189
Cu1 Cu 0.82330 0.08870 0.24970 1.
Cu2 Cu 0.00000 0.58770 0.25000 1.
O1 O 0.62440 0.59380 0.09120 1.
O2 O 0.72070 0.57020 0.41050 1.
O3 O 0.44220 0.08490 0.08790 1.
Sb2 Sb 0.25000 0.25000 0.00000 0.7608
Co2 Co 0.25000 0.25000 0.00000 0.2395

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Co1 0.00000 2.4(1) 0.00000 mx,my,mz
Co2 0.00000 0.00000 0.00000 0,0,0
