##CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 08/03/2018 00:32:17


data_5yOhtAoR
_audit_creation_date            2018-03-08
_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  4  .
mLD1 6  1  special2  secondary  1  no
mGM2+ 1  1   .       secondary  1  yes
mGM3+ 2  2  special  secondary  1  no
mK2  2   1  special2 secondary  1  yes
mK3  4   2  special  secondary  1  no
mM2+ 3   1  .        secondary  2  no

_exptl_crystal_magnetic_properties_details
;
SCND
Ferrimagnetic phase (Phase F1) observed below 3.8K under magnetic field along z (threshold field about 5T)
Above about 6.5T two 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
The block-like spin arrangement requires the presence of harmonics of the three primary propagation vectors, namely K(1/3,1/3,0) and GM(0,0,0)
;

_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 [1/6 1/6 0]
k2 [1/6 -1/3 0]
k3 [1/3 -1/6 0]

_parent_space_group.child_transform_Pp_abc  '6a,6b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/3a-1/3b,a+b,c;1/12,11/12,0'



_space_group_magn.number_BNS  12.62
_space_group_magn.name_BNS  "C2'/m'"
_cell_length_a             24.30000
_cell_length_b             24.30000
_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 -x+1/6,-y+5/6,-z,+1
3 y+1/6,x+5/6,-z,-1
4 -y,-x,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 x+2/3,y+1/3,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 0.16667 0.00000
Fe1_3 Fe  0.00000 0.33333 0.00000
Fe1_4 Fe  0.00000 0.50000 0.00000
Fe1_5 Fe  0.00000 0.83333 0.00000
I1_1 I 0.05556 0.11111 0.25000
I1_2 I  0.11111 0.05556 0.75000
I1_3 I  0.05556 0.27778 0.25000
I1_4 I  0.05556 0.44444 0.25000
I1_5 I  0.05556 0.94444 0.25000
I1_6 I  0.22222 0.11111 0.25000
I1_7 I  0.22222 0.77778 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
Fe1_1 0.00000 0.00000 -1.00000 mx,-mx,mz
Fe1_2 0.00000 0.00000 1.00000 mx,-mx,mz
Fe1_3 0.00000 0.00000 1.00000 mx,my,mz
Fe1_4 0.00000 0.00000 1.00000 mx,-mx,mz
Fe1_5 0.00000 0.00000 -1.00000 mx,-mx,mz


