#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/10/2020

data_5yOhtAoR
_audit_creation_date            2020-10-11
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        98
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            100401(R)
_citation_year                  2018
_citation_DOI                   10.1103/PhysRevB.98.100401

loop_
_citation_author_name
"C. Mauws"
"A.M. Hallas"
"G. Sala"
"A.A. Aczel"
"P.M. Sarte"
"J. Gaudet"
"D. Ziat"
"J.A. Quilliam"
"J.A. Lussier"
"M. Bieringer"
"H.D. Zhou"
"A. Wildes"
"M.B. Stone"
"D. Abernathy"
"G.M. Luke"
"B.D. Gaulin"
"C.R. Wiebe"



_atomic_positions_source_database_code_ICSD  191621
_atomic_positions_source_other               .

_transition_temperature  0.35
_experiment_temperature  ?

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

_exptl_crystal_magnetic_properties_details
;
NSD
Experiment temperature (below 0.35K) is not specified
Position structure is not reported. Here one from another study for a measurement at 293K, retrieved from the ICSD, is being used (including unit cell parameters).
So-called "all-in/all-out" structure.
Sm moment component given here with non-significant digit in order to yield the reported moment modulus.
;

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

_parent_space_group.name_H-M_alt  'F d -3 m'
_parent_space_group.IT_number                       227
_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  227.131
_space_group_magn.name_BNS  "F d -3 m'"
_cell_length_a             10.20560
_cell_length_b             10.20560
_cell_length_c             10.20560
_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,-y+1/4,-z+1/4,+1
3 -x+1/4,y,-z+1/4,+1
4 -x+1/4,-y+1/4,z,+1
5 z,x,y,+1
6 y,z,x,+1
7 -y+1/4,z,-x+1/4,+1
8 -z+1/4,-x+1/4,y,+1
9 -y+1/4,-z+1/4,x,+1
10 z,-x+1/4,-y+1/4,+1
11 y,-z+1/4,-x+1/4,+1
12 -z+1/4,x,-y+1/4,+1
13 -x,-y,-z,+1
14 -x,y+1/4,z+1/4,+1
15 x+1/4,-y,z+1/4,+1
16 x+1/4,y+1/4,-z,+1
17 -z,-x,-y,+1
18 -y,-z,-x,+1
19 y+1/4,-z,x+1/4,+1
20 z+1/4,x+1/4,-y,+1
21 y+1/4,z+1/4,-x,+1
22 -z,x+1/4,y+1/4,+1
23 -y,z+1/4,x+1/4,+1
24 z+1/4,-x,y+1/4,+1
25 x+1/4,-z,y+1/4,-1
26 x+1/4,z+1/4,-y,-1
27 z+1/4,y+1/4,-x,-1
28 -z,y+1/4,x+1/4,-1
29 -y,x+1/4,z+1/4,-1
30 y+1/4,-x,z+1/4,-1
31 y+1/4,x+1/4,-z,-1
32 -y,-x,-z,-1
33 -x,z+1/4,y+1/4,-1
34 -x,-z,-y,-1
35 z+1/4,-y,x+1/4,-1
36 -z,-y,-x,-1
37 -x+1/4,z,-y+1/4,-1
38 -x+1/4,-z+1/4,y,-1
39 -z+1/4,-y+1/4,x,-1
40 z,-y+1/4,-x+1/4,-1
41 y,-x+1/4,-z+1/4,-1
42 -y+1/4,x,-z+1/4,-1
43 -y+1/4,-x+1/4,z,-1
44 y,x,z,-1
45 x,-z+1/4,-y+1/4,-1
46 x,z,y,-1
47 -z+1/4,y,-x+1/4,-1
48 z,y,x,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x,y+1/2,z+1/2,+1
3 x+1/2,y,z+1/2,+1
4 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
Sm1 Sm 0.50000 0.50000 0.50000
Ti1 Ti 0.00000 0.00000 0.00000
O1 O 0.32700 0.12500 0.12500
O2 O 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
_atom_site_moment.magnitude
Sm1 0.255 0.255 0.2555 mx,mx,mx 0.44(7)

