#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 16/03/2018 19:04:34

data_5yOhtAoR
_audit_creation_date            2018-03-16
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Solid State Communications"
_citation_journal_volume        40
_citation_page_first            1067
_citation_page_last             1072
_citation_article_id            ?
_citation_year                  1981
_citation_DOI                   10.1016/0038-1098(81)90253-2

loop_
_citation_author_name
"A. Wiedenmann"
"J. Rossat-Mignod"
"A. Louisy"
"R. Brec"
"J. Rouxel"



_atomic_positions_source_database_code_ICSD  54140
_atomic_positions_source_other               .

_transition_temperature  74
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2-GM3-  2  2  general  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Direction of the spins on the ab plane is not determined. Here the x direction has been taken arbitrarily.
;

_active_magnetic_irreps_details
;
2-dim physically irreducible irrep active
Collinearity is symmetry-forced.
Insulator. Linear magnetoelectric response is symmetry allowed.
;

_parent_space_group.name_H-M_alt  'R  -3'
_parent_space_group.IT_number                       148
_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  '2/3a+1/3b+1/3c,1/3a+2/3b-1/3c,-1/3a+1/3b+1/3c;0,0,0'



_space_group_magn.number_BNS  2.6
_space_group_magn.name_BNS  "P-1'"
_cell_length_a             6.38700
_cell_length_b             6.38700
_cell_length_c             19.99600
_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 -x,-y,-z,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/3,y+2/3,z+2/3,+1
3 x+2/3,y+1/3,z+1/3,+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 0.16610
P1 P 0.00000 0.00000 0.44430
Se1_1 Se 0.33050 0.99840 0.08180
Se1_2 Se  0.00160 0.33210 0.08180
Se1_3 Se  0.66790 0.66950 0.08180

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 4.74 0.00000 0.00000 mx,my,mz


