#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:03:33
# Database entry: 0.164 Y2MnCoO6
# Cif-like file for the case 0.164


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                    'Y2 Mn Co O6'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        93
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            214401
_citation_year                  2016
_citation_DOI                   10.1103/PhysRevB.93.214401

loop_
_citation_author_name
"J. Blasco"
"J. Garcia"
"G. Subias"
"J. Stankiewicz"
"J.A. Rodriguez-Velamazan"
"C. Ritter"
"J.L. Garcia-Munoz"
"F. Fauth"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     80
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
? ? ? ? ? ? ?

_exptl_crystal_magnetic_properties_details
;
NPD
Non-standard parent setting: P2_1/n
The moments of the Mn and Co sites have been constrained to be equal in the refinement
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (2 possible).
1-dim active irrep: equivalent to the MSG assignment.
Ferromagnetic on the monoclinic plane.
Non-polar symmetry. Type II multiferroicity is not possible, in contradiction with some
previous publications.
;

_parent_space_group.name_H-M_alt  'P  2_1/c'
_parent_space_group.IT_number                       14
_parent_space_group.transform_Pp_abc  'a,b,a+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,a+c;0,0,0'


_space_group_magn.number_BNS  14.79
_space_group_magn.name_BNS  "P  2_1'/c'  "
_space_group_magn.point_group_name  "2'/m'"
_space_group_magn.point_group_number  "5.5.16"
_cell_length_a                 5.21683(6)
_cell_length_b                 5.56803(6)
_cell_length_c                 7.44896(9)
_cell_angle_alpha              90.00
_cell_angle_beta               89.760(1)
_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,-y,-z,+1
3 -x+1/2,y+1/2,-z+1/2,-1
4 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
Y1 Y 0.0193(2) 0.0729(2) 0.2512(3) 1
Co1 Co 0.50000 0.00000 0.00000 1
Mn1 Mn 0.00000 0.50000 0.00000 1
O1 O 0.2986(4) 0.3154(4) 0.0515(3) 1
O2 O 0.3197(4) 0.2924(4) 0.4443(3) 1
O3 O 0.6059(3) 0.9661(3) 0.2557(3) 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
Co1 0.85(6) 0.33(3) -2.78(2) mx,my,mz
Mn1 0.85 0.33 -2.78 mx,my,mz

