#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 12/27/2022

data_5yOhtAoR
_audit_creation_date            2022-12-27
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    "Fe2 Te1 O6"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Solid State Communications"
_citation_journal_volume        6
_citation_page_first            317
_citation_page_last             321
_citation_article_id            .
_citation_year                  1968
_citation_DOI                   10.1016/0038-1098(68)90113-0

loop_
_citation_author_name
"M. C. Montmory"
"M. Belakhovsky"
"R. Chevalier"
"R. Newnham"


_temperature_position_structure         293
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  24795
_atomic_positions_source_other               .

_transition_temperature     218.5(5)
_experiment_temperature     4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1- 1 1 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD 
Position structure is not provided. Here a model at room temperature determined by another study is used.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep
;

_parent_space_group.name_H-M_alt  'P 4_2/m n m'
_parent_space_group.IT_number                       136
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]

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

_space_group_magn.number_BNS  136.503
_space_group_magn.name_BNS  "P 4_2/m' n' m' "
_space_group_magn.point_group_name  "4/m'm'm'"
_space_group_magn.point_group_number  "15.7.59"
_cell_length_a                 4.60100
_cell_length_b                 4.60100
_cell_length_c                 9.08700
_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+1/2,x+1/2,z+1/2,+1 
3 y+1/2,-x+1/2,z+1/2,+1 
4 x+1/2,-y+1/2,-z+1/2,+1 
5 -x+1/2,y+1/2,-z+1/2,+1 
6 -x,-y,z,+1 
7 y,x,-z,+1 
8 -y,-x,-z,+1 
9 -x,-y,-z,-1 
10 y+1/2,-x+1/2,-z+1/2,-1 
11 -y+1/2,x+1/2,-z+1/2,-1 
12 -x+1/2,y+1/2,z+1/2,-1 
13 x+1/2,-y+1/2,z+1/2,-1 
14 x,y,-z,-1 
15 -y,-x,z,-1 
16 y,x,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
_atom_site_occupancy
Fe1 Fe 0.00000 0.00000 0.33350 1
Te1 Te 0.00000 0.00000 0.00000 1
O1 O 0.29900 0.29900 0.00000 1
O2 O 0.30700 0.30700 0.33550 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
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Fe1 0.0 0.0 2.36 0,0,mz 2.36 ? ?

