#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 16/01/2019


data_5yOhtAoR
_audit_creation_date            2019-01-16
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        24
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            386002
_citation_year                  2012
_citation_DOI                   JPhysCM/24/386002

loop_
_citation_author_name
"C. Ritter"
"A. Pankrats"
"I. Gudim"
"A. Vorotynov"




_atomic_positions_source_database_code_ICSD  188978
_atomic_positions_source_other               .

_transition_temperature  34
_experiment_temperature  2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mT3  2  2  general  primary  8  .
mT1  1  1   .       secondary 1 no
mT2  1  1   .       secondary 3  no

_exptl_crystal_magnetic_properties_details
;
NPD
Canting angle between spins of Sm and Fe: 70 degrees. Absolute direction undetermined, an arbitrary one has been chosen.
Magnetic moment Sm: 0.8(2)
;

_active_magnetic_irreps_details
;
1k magnetic structure
2-irrep active along a general direction. For special directions this irrep can yield a higher symmetry keeping a binary axis.
If insulator, magnetically induced ferroelectricity is to be expected (multiferroic of type II)
;

_parent_space_group.name_H-M_alt  'R 3 2'
_parent_space_group.IT_number                       155
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 3/2]

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



_space_group_magn.number_BNS  1.3
_space_group_magn.name_BNS  "P_S 1"
_cell_length_a             9.56630
_cell_length_b             9.56630
_cell_length_c             15.17920
_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

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+1/3,+1
3 x+2/3,y+1/3,z+2/3,+1
4 x,y,z+1/2,-1
5 x+1/3,y+2/3,z+5/6,-1
6 x+2/3,y+1/3,z+1/6,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sm1 Sm 0.00000 0.00000 0.00000
Fe1_1 Fe 0.55030 0.00000 0.00000
Fe1_2 Fe  0.00000 0.55030 0.00000
Fe1_3 Fe  0.44970 0.44970 0.00000
O1_1 O 0.85640 0.00000 0.25000
O1_2 O  0.00000 0.85640 0.25000
O1_3 O  0.14360 0.14360 0.25000
O2_1 O 0.59220 0.00000 0.25000
O2_2 O  0.00000 0.59220 0.25000
O2_3 O  0.40780 0.40780 0.25000
O3_1 O 0.02730 0.21440 0.09185
O3_2 O  0.78560 0.81290 0.09185
O3_3 O  0.18710 0.97270 0.09185
O3_4 O  0.21440 0.02730 0.90815
O3_5 O  0.81290 0.78560 0.90815
O3_6 O  0.97270 0.18710 0.90815
B1 B 0.00000 0.00000 0.25000
B2_1 B 0.44620 0.00000 0.25000
B2_2 B  0.00000 0.44620 0.25000
B2_3 B  0.55380 0.55380 0.25000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Sm1 0.71 0.87 0.00000 mx,my,mz
Fe1_1 4.2(1) 0.00000 0.00000 mx,my,mz
Fe1_2 4.2 0.00000 0.00000 mx,my,mz
Fe1_3 4.2 0.00000 0.00000 mx,my,mz
