#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:00:51
# Database entry: 0.143 Cr2TeO6
# Cif-like file for the case 0.143


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                    'Cr2 Te O6'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "J. Phys. Chem Sol."
_citation_journal_volume        29
_citation_page_first            1359
_citation_page_last             1364
_citation_article_id            .
_citation_year                  1968
_citation_DOI                   10.1016/0022-3697(68)90187-X

loop_
_citation_author_name
"W. Kunnmann"
"S.L. Placa"
"L. Corliss"
"J. Hastings"
"E. Banks"






_atomic_positions_source_database_code_ICSD   24794
_atomic_positions_source_other               .

_transition_temperature     ?
_experiment_temperature     4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5- 2 2 special primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
Spin direction only determined to be on the basal plane. Here one direction of maximal symmetry has been assumed.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry. Another possible direction of the spins of maximal symmetry, along the (1,1,0) is possible, having MSG Cm'mm.
2-dim irrep.
Magnetolectric: alpha_23, alpha_32
;

_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  'b,-a,c;0,0,0'


_space_group_magn.number_BNS  58.395
_space_group_magn.name_BNS  "P  n'  n  m"
_space_group_magn.point_group_name  "m'mm"
_space_group_magn.point_group_number  "8.3.26"
_cell_length_a                 4.54600
_cell_length_b                 4.54600
_cell_length_c                 9.01400
_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+1/2,-z+1/2,+1
3 -x+1/2,y+1/2,z+1/2,+1
4 x,y,-z,+1
5 x+1/2,-y+1/2,-z+1/2,-1
6 -x,-y,z,-1
7 -x,-y,-z,-1
8 x+1/2,-y+1/2,z+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
Cr1 Cr 0.00000 0.00000 0.33450 1
Te1 Te 0.00000 0.00000 0.00000 1
O1 O 0.30100 0.30100 0.00000 1
O2 O 0.31000 0.31000 0.33700 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
Cr1 2.45 0.0 0.0 mx,my,0

