#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 16/03/2018 15:31:20

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  54141
_atomic_positions_source_other               .

_transition_temperature  119
_experiment_temperature  15

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mL1+  3  1  .  primary 3  .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
k-maximal magnetic symmetry (2 possible)
Collinearity is symmetry-forced.
1-dim small irrep active
;

_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 [1/2 0 1/2]

_parent_space_group.child_transform_Pp_abc  '2a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/6a-1/3b-1/6c,1/6a+2/3b-1/6c,2/3a+2/3b+1/3c;0,0,0'



_space_group_magn.number_BNS  2.7
_space_group_magn.name_BNS  "P_S-1"
_cell_length_a             12.52400
_cell_length_b             6.26200
_cell_length_c             39.61000
_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+1/6,y+2/3,z+5/6,+1
3 x+1/3,y+1/3,z+2/3,+1
4 x+1/2,y,z+1/2,+1
5 x+2/3,y+2/3,z+1/3,+1
6 x+5/6,y+1/3,z+1/6,+1
7 x+1/3,y+1/3,z+1/6,-1
8 x+1/2,y,z,-1
9 x+2/3,y+2/3,z+5/6,-1
10 x+5/6,y+1/3,z+2/3,-1
11 x,y,z+1/2,-1
12 x+1/6,y+2/3,z+1/3,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1 Fe 0.00000 0.00000 0.08325
P1 P 0.00000 0.00000 0.22430
Se1_1 Se 0.16410 0.00730 0.04005
Se1_2 Se  0.99635 0.32090 0.04005
Se1_3 Se  0.83955 0.67180 0.04005

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Fe1 0.00000 0.00000 4.9 mx,my,mz


