#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 15/11/2020


data_5yOhtAoR
_audit_creation_date            2020-11-15
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        97
_citation_page_first            .
_citation_page_last             .
_citation_article_id            184422
_citation_year                  2018
_citation_DOI                   10.1103/PhysRevB.97.184422

loop_
_citation_author_name
"V.K. Anand"
"A.D. Hillier"
"D.T. Adroja"
"D.D. Khalyavin"
"P. Manuel"
"G. Andre"
"S. Rols"
"M.M. Koza"




_atomic_positions_source_database_code_ICSD  161868
_atomic_positions_source_other               .

_transition_temperature  4.7
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mLD4LE4  2  1  general  primary  2  .
mGM4 1  1  .  secondary 1  no

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a model at 300K retrieved from the ICSD
The data are unsensitive to the phase of the mL4LE4 wave. It has been chosen pi/4 according to some physical criterium (minimization of the lock-in term). The alternative possibility of the phase being -pi/4, depending on the sign of the lock-in term, results in a different non-equivalent model.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim physically irreducible irrep as primary
A secondary irrep k=0 spin mode is symmetry allowed (third harmonic). It is not observed.
;

_parent_space_group.name_H-M_alt  'I 4 m m'
_parent_space_group.IT_number                       107
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

_parent_space_group.child_transform_Pp_abc  'a,b,3c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'



_space_group_magn.number_BNS  107.231
_space_group_magn.name_BNS  "I 4 m' m'"
_cell_length_a             4.401
_cell_length_b             4.401
_cell_length_c             30.072
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          90.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -y,x,z,+1
3 y,-x,z,+1
4 -x,-y,z,+1
5 -x,y,z,-1
6 x,-y,z,-1
7 -y,-x,z,-1
8 y,x,z,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/2,y+1/2,z+1/2,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ce1_1 Ce 0.00000 0.00000 0.16667
Ce1_2 Ce  0.50000 0.50000 0.33333
Ce1_3 Ce  0.00000 0.00000 0.50000
Ir1_1 Ir 0.00000 0.00000 0.05304
Ir1_2 Ir  0.50000 0.50000 0.21970
Ir1_3 Ir  0.00000 0.00000 0.38637
Ge1_1 Ge 0.00000 0.00000 0.30664
Ge1_2 Ge  0.50000 0.50000 0.47331
Ge1_3 Ge  0.00000 0.00000 0.63997
Ge2_1 Ge 0.00000 0.50000 0.08771
Ge2_2 Ge  0.50000 0.00000 0.25437
Ge2_3 Ge  0.00000 0.50000 0.42104

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
_atom_site_moment.magnitude
Ce1_1 0.00000 0.00000 0.45(6) 0,0,mz   0.45(6)
Ce1_2 0.00000 0.00000 -0.62(8) 0,0,mz  0.62(8)
Ce1_3 0.00000 0.00000 0.17(3) 0,0,mz   0.17(3)

