#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/10/2020

data_5yOhtAoR
_audit_creation_date            2020-10-10
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        79
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            054503
_citation_year                  2009
_citation_DOI                   10.1103/PhysRevB.79.054503

loop_
_citation_author_name
"S. Li"
"C. de la Cruz"
"Q. Huang"
"Y. Chen"
"J.W. Lynn"
"J. Hu"
"Y.-L. Huang"
"F.-C. Hsu"
"K.-W. Yeh"
"M.-K. Wu"
"P. Dai"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  67
_experiment_temperature  5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mR1  4  2  special  primary  2  .
mR2  4  2  special  primary  4  .

_exptl_crystal_magnetic_properties_details
;
NPD
See #1.434 and #1.435 for a very different model of the same phase, although with a slightly different composition.
The reported structure includes a monoclinic distortion which reduces the effective space space group of the positional structure to P2_1/m. This structural distortion takes place at the same temperature as the magnetic ordering. The MSG of the reported structure is however triclinic due to the general direction of the Fe moments, in contrast with the models in #1.434 and #1.435.
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two small irreps along special directions active as primary.
The star of the active irreps has two k-vectors, and only one of them is involved.
;

_parent_space_group.name_H-M_alt  'P 4/n m m'
_parent_space_group.IT_number                       129
_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  '1/2a+1/2c,b,c;1/4,1/2,0'



_space_group_magn.number_BNS  2.7
_space_group_magn.name_BNS  "P_S -1"
_cell_length_a             7.66894
_cell_length_b             3.78414
_cell_length_c             12.5144
_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 -x+1/2,-y,-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,z+1/2,+1
3 x,y,z+1/2,-1
4 x+1/2,y,z,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1 Fe 0.37500 0.25000 0.00175 0.995
Fe2 Fe 0.12500 0.25000 0.3406 0.068
Te1 Te 0.12500 0.25000 0.1399 1.

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
Fe1 -0.7(2) 2.0(7) 0.7(1) mx,my,mz  2.25(8)
Fe2 0.00000 0.00000 0.00000 mx,my,mz  0.0

