#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/03/2020 f

data_5yOhtAoR
_audit_creation_date            2020-03-01
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Phys. Rev. Materials"
_citation_journal_volume        2
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            111405(R)
_citation_year                  2018
_citation_DOI                   10.1103/PhysRevMaterials.2.111405

loop_
_citation_author_name
"K. Tustain"
"G.J. Nilsen"
"C. Ritter"
"I. da Silva"
"L. Clark"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  15
_experiment_temperature  2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+  1  1  .  primary  8  .

_exptl_crystal_magnetic_properties_details
;
NPD
Ferromagnetic along c.
The non-zero z component of the Cu2 moment, listed in Table S2 of the original reference, is inconsistent with the figures of the same article.  Here the figures have been assumed correct and this component has been set to zero.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim irrep primary
;

_parent_space_group.name_H-M_alt  'P n m a'
_parent_space_group.IT_number                       62
_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  62.446
_space_group_magn.name_BNS  "P n' m' a"
_cell_length_a             11.55100
_cell_length_b             9.28000
_cell_length_c             6.67910
_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,z+1/2,+1
3 -x,-y,-z,+1
4 x+1/2,y,-z+1/2,+1
5 x+1/2,-y+1/2,-z+1/2,-1
6 -x,y+1/2,-z,-1
7 -x+1/2,y+1/2,z+1/2,-1
8 x,-y+1/2,z,-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 0.00000 0.00000
Cu2 Cu 0.25043 0.50911 0.24664
Cu3 Cu 0.18626 0.25000 0.05632
F1 F 0.49790 0.25000 0.00340
Br1 Br 0.33098 0.25000 0.49849
O1 O 0.29645 0.09645 0.00154
O2 O 0.10142 0.09037 0.19980
O3 O 0.40072 0.58753 0.30200
D1 D 0.37764 0.12684 0.99880
D2 D 0.06298 0.13636 0.31300
D3 D 0.44052 0.63892 0.19124

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 0.144(9) 0.02(2) -0.05(2) mx,my,mz
Cu2 0.361(7) 0.19(1) 0.00000 mx,my,mz
Cu3 0.493(9) 0.00000 0.20(3) mx,0,mz
