#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/21/2024

data_5yOhtAoR
_audit_creation_date            2024-01-21
_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                    "Pb1 Mn2 Ni6 Te3 O18"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Inorg. Chem."
_citation_journal_volume        54
_citation_page_first            10725
_citation_page_last             10731
_citation_article_id            .
_citation_year                  2015
_citation_DOI                   10.1021/acs.inorgchem.5b01619

loop_
_citation_author_name
"Y. Doi"
"R. Suzuki"
"Y. Hinatsu"
"K. Kodama"
"N. Igawa"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  239069
_atomic_positions_source_other               .

_transition_temperature     86
_experiment_temperature     18

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1- 1 1 . primary 4 .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1K magnetic structure
k-maximal magnetic symmetry
1-dim irrep 
;

_parent_space_group.name_H-M_alt  'P 6_3/m'
_parent_space_group.IT_number                       176
_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  176.146
_space_group_magn.name_BNS  "P 6_3/m'"
_space_group_magn.point_group_name  "6/m'"
_space_group_magn.point_group_number  "23.4.85"
_cell_length_a                 9.2741(2)
_cell_length_b                 9.2741(2)
_cell_length_c                 8.8070(1)
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 x-y,x,z+1/2,+1 
3 -y,x-y,z,+1 
4 -x,-y,z+1/2,+1 
5 -x+y,-x,z,+1 
6 y,-x+y,z+1/2,+1 
7 -x,-y,-z,-1 
8 -x+y,-x,-z+1/2,-1 
9 y,-x+y,-z,-1 
10 x,y,-z+1/2,-1 
11 x-y,x,-z,-1 
12 -y,x-y,-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
Pb1 Pb 0.00000 0.00000 0.00000 1
Mn1 Mn 0.333333 0.666667 0.0626(5) 1
Ni1 Ni 0.9883(1) 0.3482(1) 0.9108(1) 1
Te1 Te 0.3626(3) 0.0257(3) 0.25 1
O1 O 0.1017(2) 0.3065(2) 0.0903(2) 1
O2 O 0.1299(2) 0.6070(2) 0.9117(2) 1
O3 O 0.4191(3) 0.5521(4) 0.25 1
O4 O 0.2911(3) 0.1842(3) 0.25 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
_atom_site_moment.magnitude
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Mn1 0.0 0.0 -4.71(3) 0,0,mz 4.71(3) ? ?
Ni1 0.0 0.0 1.96(2) mx,my,mz 1.96(2) ? ?

