#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:57:35
# Database entry: 0.119 CoSe2O5
# Cif-like file for the case 0.119


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                    'Co Se2 O5'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        82
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            014411
_citation_year                  2010
_citation_DOI                   10.1103/PhysRevB.82.014411

loop_
_citation_author_name
"B.C. Melot"
"B. Paden"
"R. Seshadri"
"E. Suard"
"G. Nenert"
"A. Dixit"
"G. Lawes"






_atomic_positions_source_database_code_ICSD   169716
_atomic_positions_source_other               .

_transition_temperature     8.5
_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
;

;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep active: equivalent with MSG assignment
Weak FM is suspected, but it is not consistent with the magnetic symmetry of the phase.
If insulator, linear magnetoelectric response (Q_23 and Q32) is to be expected.
;

_parent_space_group.name_H-M_alt  'P  b  c  n'
_parent_space_group.IT_number                       60
_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  60.419
_space_group_magn.name_BNS  "P  b'  c  n"
_space_group_magn.point_group_name  "m'mm"
_space_group_magn.point_group_number  "8.3.26"
_cell_length_a                 6.79230
_cell_length_b                 10.35660
_cell_length_c                 6.05500
_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
3 x,-y,z+1/2,+1
4 x+1/2,y+1/2,-z+1/2,+1
5 -x,y,-z+1/2,-1
6 -x+1/2,-y+1/2,z+1/2,-1
7 -x,-y,-z,-1
8 -x+1/2,y+1/2,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
Co1 Co 0.00000 0.06110 0.25000 1
Se1 Se 0.63120 0.15420 0.96860 1
O1 O 0.80550 0.20890 0.34080 1
O2 O 0.00000 0.43170 0.25000 1
O3 O 0.83970 0.93330 0.45260 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 3.1 0.0 0.8 mx,0,mz

