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


data_5yOhtAoR
_audit_creation_date            2018-10-08
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Phys. Rev."
_citation_journal_volume        110
_citation_page_first            638
_citation_page_last             647
_citation_article_id            ?
_citation_year                  1958
_citation_DOI                   10.1103/PhysRev.110.638

loop_
_citation_author_name
"E.O. Wollan"
"W.C. Koehler"
"M.K. Wilkinson"




_atomic_positions_source_database_code_ICSD  60250
_atomic_positions_source_other               .

_transition_temperature  2.17
_experiment_temperature  1.35

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mD1  6  1  special  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NSD
see also (McGuire et al, Crystals 2017, 7, 121) and (Sato et al., Physica B 213&214 (1995) 224).
An orthorhombic supercentered unit cell defined in the original reference is used for the description.
Arbitrary scale for the magnetic moment. Absolute value not reported.
From temperature curves of intensities, the systems is estimated to 20% away from saturation.
Above 2.16K a sinusoidal incommensurate magnetic phase up to 2.32K has been reported
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal symmetry (4 possible)
The (k,-k) subspace of the irrep is two dimensional, and the OP takes a special direction (i.e. special phase for the sinusoidal k-wave)
;

_parent_space_group.name_H-M_alt  'P -3 m 1'
_parent_space_group.IT_number                       164
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 1/4 1/4]

_parent_space_group.child_transform_Pp_abc  'a,2a+4b,4c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/2b-1/2c,-a,b;0,0,1/8'



_space_group_magn.number_BNS  12.63
_space_group_magn.name_BNS  "C_c 2/m"
_cell_length_a             3.86800
_cell_length_b             13.39910
_cell_length_c             25.08800
_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,-z+1/4,+1
3 -x,-y,-z+1/4,+1
4 -x,y,z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/2,y+1/4,z+3/4,+1
3 x,y+1/2,z+1/2,+1
4 x+1/2,y+3/4,z+1/4,+1
5 x,y+1/2,z,-1
6 x+1/2,y+3/4,z+3/4,-1
7 x,y,z+1/2,-1
8 x+1/2,y+1/4,z+1/4,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1 Mn 0.00000 0.00000 0.00000
Br1_1 Br 0.00000 0.16667 0.06250
Br1_2 Br 0.00000 0.16667 0.31250

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 1.00000 0.00000 0.00000 mx,0,0
