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

data_5yOhtAoR
_audit_creation_date            2018-09-19
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Physical Review Materials"
_citation_journal_volume        2
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            054413
_citation_year                  2018
_citation_DOI                   10.1103/PhysRevMaterials.2.054413

loop_
_citation_author_name
"A. Regnat"
"A. Bauer"
"A. Senyshyn"
"M. Meven"
"K. Hradil"
"P. Jorba"
"K. Nemkovski"
"B. Pedersen"
"R. Georgii"
"S. Gottlieb-Schonmeyer"
"C. Pfleiderer"




_atomic_positions_source_database_code_ICSD  628385
_atomic_positions_source_other               .

_transition_temperature  55.3
_experiment_temperature  35

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mL2 4  1  .  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NSD
Moment modulus and experiment temperature only approximate (taken from a figure from the reference)
Below 34 K the spins become canted along the (1,-2,1) and the symmetry decreases to monoclinic (see entry #1.232)
;

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

_parent_space_group.name_H-M_alt  'F -4 3 m'
_parent_space_group.IT_number                       216
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 1/2 1/2]

_parent_space_group.child_transform_Pp_abc  '2a,2b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/4a-1/4b,1/4b-1/4c,a+b+c;0,0,0'



_space_group_magn.number_BNS  161.72
_space_group_magn.name_BNS  "R_I 3c"
_cell_length_a             12.19000
_cell_length_b             12.19000
_cell_length_c             12.19000
_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 z,x,y,+1
3 y,z,x,+1
4 y+1/2,x+1/2,z+1/2,+1
5 z+1/2,y+1/2,x+1/2,+1
6 x+1/2,z+1/2,y+1/2,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x,y+1/4,z+3/4,+1
3 x,y+1/2,z+1/2,+1
4 x,y+3/4,z+1/4,+1
5 x+1/4,y,z+3/4,+1
6 x+1/4,y+1/4,z+1/2,+1
7 x+1/4,y+1/2,z+1/4,+1
8 x+1/4,y+3/4,z,+1
9 x+1/2,y,z+1/2,+1
10 x+1/2,y+1/4,z+1/4,+1
11 x+1/2,y+1/2,z,+1
12 x+1/2,y+3/4,z+3/4,+1
13 x+3/4,y,z+1/4,+1
14 x+3/4,y+1/4,z,+1
15 x+3/4,y+1/2,z+3/4,+1
16 x+3/4,y+3/4,z+1/2,+1
17 x,y+3/4,z+3/4,-1
18 x,y,z+1/2,-1
19 x,y+1/4,z+1/4,-1
20 x,y+1/2,z,-1
21 x+1/4,y+3/4,z+1/2,-1
22 x+1/4,y,z+1/4,-1
23 x+1/4,y+1/4,z,-1
24 x+1/4,y+1/2,z+3/4,-1
25 x+1/2,y+3/4,z+1/4,-1
26 x+1/2,y,z,-1
27 x+1/2,y+1/4,z+3/4,-1
28 x+1/2,y+1/2,z+1/2,-1
29 x+3/4,y+3/4,z,-1
30 x+3/4,y,z+3/4,-1
31 x+3/4,y+1/4,z+1/2,-1
32 x+3/4,y+1/2,z+1/4,-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
Mn1 Mn 0.12500 0.12500 0.12500
Sb1 Sb 0.37500 0.37500 0.37500

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Mn1 1.7 1.7 1.7 mx,mx,mx
