#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/19/2022

data_5yOhtAoR
_audit_creation_date            2022-02-19
_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                    "Fe Pb4 Sb6 S14"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Journal of Magnetism and Magnetic Materials"
_citation_journal_volume        284
_citation_page_first            92
_citation_page_last             96
_citation_article_id            .
_citation_year                  2004
_citation_DOI                   10.1016/j.jmmm.2004.06.031

loop_
_citation_author_name
"P. Leone"
"G. Andre"
"C. Doussier"
"Y. Moelo"

_temperature_position_structure         293
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  98580
_atomic_positions_source_other               .

_transition_temperature     5
_experiment_temperature     1.4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY1- 1 1 . primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at room temperature
;

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

_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,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 0 0]

_parent_space_group.child_transform_Pp_abc  '2a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a-2c,b,a-c;1/4,0,0'

_space_group_magn.number_BNS  14.80
_space_group_magn.name_BNS  "P_a 2_1/c"
_space_group_magn.point_group_name  "2/m1'"
_space_group_magn.point_group_number  "5.2.13"
_cell_length_a                 8.04700
_cell_length_b                 19.07400
_cell_length_c                 15.73700
_cell_angle_alpha              90.00
_cell_angle_beta               91.89
_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+1/2,-z+1/2,+1 
3 -x+1/2,-y,-z,+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 
2 x+1/2,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 0.22075 0.23983 0.57470 1
Pb2 Pb 0.23190 0.14056 0.81770 1
Sb1 Sb 0.44095 0.04877 0.60418 1
Sb2 Sb 0.45545 0.93675 0.81978 1
Sb3 Sb 0.44070 0.15908 0.36996 1
Fe1 Fe 0.25000 0.00000 0.00000 1
S1 S 0.22740 0.10210 0.49700 1
S2 S 0.47460 0.15910 0.68260 1
S3 S 0.48835 0.04370 0.90420 1
S4 S 0.46505 0.26910 0.44790 1
S5 S 0.23450 0.00380 0.71410 1
S6 S 0.21150 0.29640 0.77570 1
S7 S 0.25630 0.39370 0.58120 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
Fe1 2.8(1) 1.5(1) -0.5(2) mx,my,mz 3.3(1) ? ?

