#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/03/2020 03:58:53
# icsd_153644_RT.cif

data_5yOhtAoR
_audit_creation_date            2020-03-02
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW LETTERS"
_citation_journal_volume        101
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            107201
_citation_year                  2008
_citation_DOI                   10.1103/PhysRevLett.101.107201

loop_
_citation_author_name
"J.-H. Kim"
"S. Ji"
"S.-H. Lee"
"B. Lake"
"T. Yildirim"
"H. Nojiri"
"H. Kikuchi"
"K. Habicht"
"Y. Qiu"
"K. Kiefer"




_atomic_positions_source_database_code_ICSD  153644
_atomic_positions_source_other               .

_transition_temperature  6.7
_experiment_temperature  2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1+  1  1  .  primary  9  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure used here is from a room temperature ICSD entry
See #0.295 for a very different model of this magnetic structure (mind the different origin choices).
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep primary
non-standard setting P2_1/n
FM along b
;

_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,-a+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,-a+c;0,0,0'



_space_group_magn.number_BNS  14.75
_space_group_magn.name_BNS  "P 2_1/c"
_cell_length_a             6.16370
_cell_length_b             6.81660
_cell_length_c             9.11400
_cell_angle_alpha          90.00
_cell_angle_beta           99.65
_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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1 Cu 0.00000 0.50000 0.50000
Cu2 Cu 0.00000 0.00000 0.00000
Cu3 Cu 0.25900 0.23580 0.74680
Cl1 Cl 0.11300 0.99560 0.30800
O1 O 0.31100 0.28830 0.55130
O2 O 0.42550 0.99200 0.77890
O3 O 0.25230 0.68440 0.53620

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 -0.55 0.16 -0.23 mx,my,mz
Cu2 0.55 0.16 0.23 mx,my,mz
Cu3 0.55 0.16 0.23 mx,my,mz

