#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 09/26/2024
# From a file submitted by V. Pomjakushin

data_5yOhtAoR
_audit_creation_date            2024-09-26
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    "K2Cu3O(SO4)3"
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    "K2 Cu3 S3 O13"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        109
_citation_page_first            .
_citation_page_last             .
_citation_article_id            44409
_citation_year                  2024
_citation_DOI                   10.1103/PhysRevB.109.144409

loop_
_citation_author_name
"V. Yu. Pomjakushin"
"A. Podlesnyak"
"A. Furrer"
"E.V. Pomjakushina"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     3
_experiment_temperature     1.7

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2- 1 1 . primary 9 .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
1-dim irrep
;

_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                 18.97550
_cell_length_b                 9.50040
_cell_length_c                 14.19720
_cell_angle_alpha              90.000000
_cell_angle_beta               110.49150
_cell_angle_gamma              90.000000

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
Cu1 Cu 0.4813 0.0226 0.3403 1
Cu2 Cu 0.4858 0.4778 0.1392 1
Cu3 Cu 0.4199 0.7451 0.2055 1
K1 K 0.3283 0.7559 0.4415 1
K2 K 0.1981 0.7433 0.1272 1
O1 O 0.5 0.8876 0.25 1
O2 O 0.4506 0.8262 0.4062 1
O3 O 0.5631 0.6792 0.4564 1
O4 O 0.466 0.6446 0.531 1
O5 O 0.5899 0.0557 0.4109 1
O6 O 0.4061 0.4422 0.3233 1
O7 O 0.3378 0.6189 0.2031 1
O8 O 0.2806 0.3953 0.1982 1
O9 O 0.5488 0.8516 0.5703 1
O10 O 0.6201 0.0687 0.2548 1
O11 O 0.3853 0.4109 0.145 1
O12 O 0.5 0.6051 0.25 1
O13 O 0.6587 0.8724 0.3682 1
O14 O 0.7166 0.0973 0.4246 1
S1 S 0.5103 0.7576 0.4879 1
S2 S 0.6479 0.0163 0.3672 1
S3 S 0.3535 0.4633 0.2158 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
Cu1 -0.1(1) -0.22(6) 0.50(6) Mx,My,Mz 0.59(3) 349(10) 112(6)
Cu2 -0.1(1) -0.06(6) 0.37(5) Mx,My,Mz 0.43(4) 345(13) 98(7)
Cu3 0.0 0.0 -0.44(2) Mx,My,Mz  0.44(2) 180 90

