##CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/03/2018 00:34:40


data_5yOhtAoR
_audit_creation_date            2018-03-01
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Physica B"
_citation_journal_volume        156-157
_citation_page_first            305
_citation_page_last             307
_citation_article_id            ?
_citation_year                  1989
_citation_DOI                   10.1016/0921-4526(89)90661-3

loop_
_citation_author_name
"A. Wiedenmann"
"L. Regnault"
"P. Burlet"
"J. Rossat-Mignod"
"O. Kounde"
"D. Billerey"




_atomic_positions_source_database_code_ICSD  52369
_atomic_positions_source_other               .

_transition_temperature  ?
_experiment_temperature  ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mLD2  6  1  special2  primary  2  .
mLD2(3k) 6 1 special2 secondary 2 yes
mSM2  6  1  special2  secondary 2 yes
mSM2(3k) 6 1 special2 seoncdary 2 yes
mGM2+ 1  1    .   secondary  1 yes

_exptl_crystal_magnetic_properties_details
;
SCND
Ferrimagnetic phase (Phase F2) observed below 3.8K under magnetic field along z (threshold field about 6.5T)
Below 5T and at higher fields  other ferrimagnetic phases are reported.
At zero field, and below about 9K a single-k AF structure has been reported (see #1.209)
Modulus of the magnetic moments unspecified. An arbitrary value is given here.
;

_active_magnetic_irreps_details
;
3k magnetic structure
3k maximal symmetry (4 possible)
The block-like spin arrangement requires the presence of harmonics of the three primary propagation vectors, namely the wave vectors LD(2/5,2/5,0), SM(1/5,0,0), SM(2/5,0,0) and GM (0,0,0), and their symmetry equivalent.
;

_parent_space_group.name_H-M_alt  'P  -3m  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 [1/5 1/5 0]
k2 [-2/5 1/5 0]
k3 [1/5 -2/5 0]

_parent_space_group.child_transform_Pp_abc  '5a,5b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'



_space_group_magn.number_BNS  164.89
_space_group_magn.name_BNS  "P-3m'1"
_cell_length_a             20.25000
_cell_length_b             20.25000
_cell_length_c             6.76000
_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 -y,x-y,z,+1
3 -x+y,-x,z,+1
4 -x,-y,-z,+1
5 y,-x+y,-z,+1
6 x-y,x,-z,+1
7 x-y,-y,-z,-1
8 y,x,-z,-1
9 -x,-x+y,-z,-1
10 -x+y,y,z,-1
11 -y,-x,z,-1
12 x,x-y,z,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1_1 Fe 0.00000 0.00000 0.00000
Fe1_2 Fe  0.00000 0.20000 0.00000
Fe1_3 Fe  0.00000 0.40000 0.00000
Fe1_4 Fe  0.20000 0.40000 0.00000
Fe1_5 Fe  0.20000 0.60000 0.00000
I1_1 I 0.06667 0.13333 0.25000
I1_2 I  0.06667 0.33333 0.25000
I1_3 I  0.13333 0.26667 0.75000
I1_4 I  0.06667 0.53333 0.25000
I1_5 I  0.13333 0.46667 0.75000
I1_6 I  0.26667 0.53333 0.25000
I1_7 I  0.33333 0.66667 0.75000

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_1 0.00000 0.00000 -1.00000 0,0,mz
Fe1_2 0.00000 0.00000 1.00000 2my,my,mz
Fe1_3 0.00000 0.00000 1.00000 2my,my,mz
Fe1_4 0.00000 0.00000 1.00000 mx,2mx,mz
Fe1_5 0.00000 0.00000 -1.00000 2my,my,mz


