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

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

_citation_journal_abbrev        "PHYSICAL REVIEW MATERIALS"
_citation_journal_volume        3
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            111402(R)
_citation_year                  2019
_citation_DOI                   10.1103/PhysRevMaterials.3.111402

loop_
_citation_author_name
"M.H. Karigerasi"
"K. Kang"
"A. Ramanathan"
"D.L. Gray"
"M.D. Frontzek"
"H. Cao"
"A. Schleife"
"D.P. Shoemaker"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  270
_experiment_temperature  4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2  1  1  .  primary  6  .

_exptl_crystal_magnetic_properties_details
;
NSD
Positional structure was included in the refinement but it is not reported. Here, the RT structure in the paramagnetic phase is used.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (2 possible)
1-dim irrep active as primary
;

_parent_space_group.name_H-M_alt  'P -6'
_parent_space_group.IT_number                       174
_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  174.135
_space_group_magn.name_BNS  "P -6'"
_cell_length_a             11.14180
_cell_length_b             11.14180
_cell_length_c             3.83110
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -y,x-y,z,+1
3 -x+y,-x,z,+1
4 -x+y,-x,-z,-1
5 x,y,-z,-1
6 -y,x-y,-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
_atom_site_occupancy
Cu1 Cu 0.24890 0.08680 0.00000 0.709
Mn1 Mn 0.24890 0.08680 0.00000 0.291
Cu2 Cu 0.58940 0.50430 0.00000 0.914
Mn2 Mn 0.58940 0.50430 0.00000 0.086
Cu3 Cu 0.42060 0.50300 0.50000 0.846
Mn3 Mn 0.42060 0.50300 0.50000 0.154
Mn4 Mn 0.19660 0.46820 0.00000 1.
Mn5 Mn 0.80510 0.94220 0.50000 1.
Mn6 Mn 0.80560 0.53100 0.50000 1.
As1 As 0.33100 0.33540 0.00000 1.
As2 As 0.67540 0.67210 0.50000 1.
As3 As 0.00000 0.00000 0.00000 1.
As4 As 0.33333 0.66667 0.50000 1.
As5 As 0.66667 0.33333 0.00000 1.

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Mn4 3.02(8) 0.00000 0.00000 mx,my,0
Mn5 3.02 0.00000 0.00000 mx,my,0
Mn6 3.02 0.00000 0.00000 mx,my,0

