#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:48:08
# Database entry: 0.20 MnTe2
# Cif-like file for the case 0.20


data_5yOhtAoR
_audit_creation_date            2017-11-19
_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                    'Mn Te2'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        56
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            14013
_citation_year                  1997
_citation_DOI                   10.1103/physrevb.56.14013

loop_
_citation_author_name
"P. Burlet"
"E. Ressouche"
"B. Malaman"
"R. Welter"
"J.P. Sanchez"
"P. Vulliet"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     86.5
_experiment_temperature     4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
MGM1 1 1 . primary . .

_exptl_crystal_magnetic_properties_details
;
NPD, NSD, Mossbauer
;

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

_parent_space_group.name_H-M_alt  'P  a  -3'
_parent_space_group.IT_number                       205
_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  205.33
_space_group_magn.name_BNS  "P  a  -3"
_space_group_magn.point_group_name  "m-3"
_space_group_magn.point_group_number  "29.1.109"
_cell_length_a                 6.9
_cell_length_b                 6.9
_cell_length_c                 6.9
_cell_angle_alpha              90.0000
_cell_angle_beta               90.0000
_cell_angle_gamma              90.0000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 x+1/2,-y+1/2,-z,+1
3 -x,y+1/2,-z+1/2,+1
4 -x+1/2,-y,z+1/2,+1
5 z,x,y,+1
6 y,z,x,+1
7 -y,z+1/2,-x+1/2,+1
8 -z+1/2,-x,y+1/2,+1
9 -y+1/2,-z,x+1/2,+1
10 z+1/2,-x+1/2,-y,+1
11 y+1/2,-z+1/2,-x,+1
12 -z,x+1/2,-y+1/2,+1
13 -x,-y,-z,+1
14 -x+1/2,y+1/2,z,+1
15 x,-y+1/2,z+1/2,+1
16 x+1/2,y,-z+1/2,+1
17 -z,-x,-y,+1
18 -y,-z,-x,+1
19 y,-z+1/2,x+1/2,+1
20 z+1/2,x,-y+1/2,+1
21 y+1/2,z,-x+1/2,+1
22 -z+1/2,x+1/2,y,+1
23 -y+1/2,z+1/2,x,+1
24 z,-x+1/2,y+1/2,+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
Mn Mn 0.00000 0.00000 0.00000 1
Te Te 0.38470 0.38470 0.38470 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
Mn 2.47 2.47 2.47 mx,mx,mx

