#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/09/2025

data_5yOhtAoR
_audit_creation_date            2024-11-05
_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                    "K1 Co1 As1 O4"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        112
_citation_page_first            .
_citation_page_last             .
_citation_article_id            094449
_citation_year                  2025
_citation_DOI                   10.1103/rnfj-st4c

loop_
_citation_author_name
"C. L. Sarkis"
"L. A. Pressley"
"V. O. Garlea"
"C. dela Cruz"
"M. B. Stone"
"A. A. Aczel"
"C. A. Bridges"
"D. A. Tennant"
"S. E. Nagle"

_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     14
_experiment_temperature     0.3

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mL1+ 3 1 . primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
Two phases with different propagation vectors coexist. This is one of them.
;

_active_magnetic_irreps_details
;
1k magnetic structure
1-dim small irrep
The active irrep has three k-vectors. Possible 2k or 3k models involving more than one of the three propagation vectors of the active irrep are not considered.
;

_parent_space_group.name_H-M_alt  'R -3'
_parent_space_group.IT_number                       148
_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 1/2]

_parent_space_group.child_transform_Pp_abc  '2a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/6a-1/3b-1/6c,1/6a+2/3b-1/6c,2/3a+2/3b+1/3c;0,0,0'


_space_group_magn.number_BNS  2.7
_space_group_magn.name_BNS  "P_S -1"
_space_group_magn.point_group_name  "-1.1'"
_space_group_magn.point_group_number  "2.2.4"
_cell_length_a                 10.0812
_cell_length_b                 5.04060
_cell_length_c                 57.3980
_cell_angle_alpha              90.0000
_cell_angle_beta               90.0000
_cell_angle_gamma              120.000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -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,z+1/2,+1 
3 x+1/3,y+1/3,z+2/3,+1 
4 x+5/6,y+1/3,z+1/6,+1 
5 x+1/6,y+2/3,z+5/6,+1 
6 x+2/3,y+2/3,z+1/3,+1 
7 x+1/2,y,z,-1 
8 x,y,z+1/2,-1 
9 x+1/3,y+1/3,z+1/6,-1 
10 x+1/6,y+2/3,z+1/3,-1 
11 x+5/6,y+1/3,z+2/3,-1 
12 x+2/3,y+2/3,z+5/6,-1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K1 K 0.00000 0.00000 0.14715 1
Co2 Co 0.00000 0.00000 0.07930 1
As1 As 0.00000 0.00000 0.27930 1
O1_1 O 0.01000 0.34300 0.06100 1
O1_2 O 0.82850 0.67700 0.06100 1
O1_3 O 0.16150 0.98000 0.06100 1
O2 O 0.00000 0.00000 0.31010 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
Co2 0.596 0.0 3.526 mx,my,mz 3.58 ? ?

