#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:00:58
# Database entry: 0.145 Co3TeO6
# Cif-like file for the case 0.145


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                    'Co3 Te O6'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Materials Research Bulletin"
_citation_journal_volume        47
_citation_page_first            63
_citation_page_last             72
_citation_article_id            .
_citation_year                  2012
_citation_DOI                   10.1016/j.materresbull.2011.10.003

loop_
_citation_author_name
"S. Ivanov"
"R. Tellgren"
"C. Ritter"
"P. Nordblad"
"R. Mathieu"
"G. Andre"
"N. Golubko"
"E. Politova"
"M. Weil"






_atomic_positions_source_database_code_ICSD   183805
_atomic_positions_source_other               .

_transition_temperature     21.1
_experiment_temperature     ?

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

_exptl_crystal_magnetic_properties_details
;
NPD
At higher temperatures, between 26K and 21.1K an incommensurate phase is reported. Below 17.4K another phase with propagation vector (0,1/2,1/4) is observed.
Value of the moment of Co5 atoms given in Table 4 are not consistent with Figure 7 in the same reference. Figure 7 has been assumed to be correct and the spin values of Co5 atoms have been interchanged to agree with the Figure.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep active.
Linear magnetoelectric: alpha_12, alpha_32, alpha_21, alpha_23 are non-zero.
The material has been reported to be multiferroic below 20K (Phys. Rev B (2011) 84,180404(R)), but the symmetry of this magnetic structure is inconsistent with the existence of ferroelectricity. Also the commensurate magnetic ordering with k=(0,1/2,1/4) reported in the same reference (see another entry in MAGNDATA) is not consistent with multiferroicity.
;

_parent_space_group.name_H-M_alt  'C  2/c'
_parent_space_group.IT_number                       15
_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  15.87
_space_group_magn.name_BNS  "C  2'/c"
_space_group_magn.point_group_name  "2'/m"
_space_group_magn.point_group_number  "5.3.14"
_cell_length_a                 14.78320
_cell_length_b                 8.83960
_cell_length_c                 10.34280
_cell_angle_alpha              90.00
_cell_angle_beta               95.03
_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+1/2,+1
3 -x,y,-z+1/2,-1
4 -x,-y,-z,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/2,y+1/2,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 0.30620 0.25000 1
Co2 Co 0.85220 0.63980 0.22180 1
Co3 Co 0.51390 0.29830 0.07000 1
Co4 Co 0.67120 0.71020 0.05130 1
Co5 Co 0.80910 0.63870 0.56650 1
Te1 Te 0.00000 0.50000 0.00000 1
Te2 Te 0.66370 0.50890 0.30060 1
O1 O 0.93280 0.66070 0.55820 1
O2 O 0.59370 0.65110 0.20210 1
O3 O 0.59530 0.36820 0.20250 1
O4 O 0.75550 0.48140 0.65980 1
O5 O 0.93170 0.49240 0.34020 1
O6 O 0.58790 0.48260 0.43060 1
O7 O 0.92850 0.35840 0.55980 1
O8 O 0.74130 0.67210 0.40040 1
O9 O 0.71890 0.34820 0.38980 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 -0.7(4) 0.0 0.7(5) mx,0,mz
Co2 1.8(1) 0.7(1) 2.1(1) mx,my,mz
Co3 -2.2(1) 0.6(2) -1.9(1) mx,my,mz
Co4 0.8(4) 0.2(3) 0.8(5) mx,my,mz
Co5 2.1(1) -0.9 1.9(1) mx,my,mz

