#\#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        "Mat. Res. Bull."
_citation_journal_volume        10
_citation_page_first            169
_citation_page_last             174
_citation_article_id            ?
_citation_year                  1975
_citation_DOI                   10.1016/0025-5408(75)90151-8

loop_
_citation_author_name
"D. Fruchart"
"P. Convert"
"P. Wolfers"
"R. Madar"
"J. Senateur"
"R. Fruchart"



_atomic_positions_source_database_code_ICSD  42058
_atomic_positions_source_other               .

_transition_temperature  63
_experiment_temperature  4.2

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
Atomic positions from a a measurement at 300K, retrieved from the ICSD entry, but unit cell with monoclinic strain measured at 4.2K, reported in the same reference.
Reference parent structure in 2nd setting (origin 1)
See #1.434 and #1.435 for a very different model of the same phase, although with a slightly different composition.
;

_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;1/4,-1/4,0'

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;3/8,-1/4,0'



_space_group_magn.number_BNS  2.7
_space_group_magn.name_BNS  "P_S -1"
_cell_length_a             7.686
_cell_length_b             3.791
_cell_length_c             12.528
_cell_angle_alpha          90.00
_cell_angle_beta           89.254
_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+3/4,-y+1/2,-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 0.00000 0.00000 0.00000 1.
Fe2 Fe 0.25000 0.00000 0.28050 0.125
Te1 Te 0.25000 0.00000 0.13650 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 -0.49 1.48 1.36 mx,my,mz 2.07(7)
Fe2 0.00000 0.00000 0.00000 mx,my,mz 0.0

