#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/18/2026

data_5yOhtAoR
_audit_creation_date            2026-02-18
_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                    "Na2 Co3 As2 O10 H2"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Mater. Chem. Front."
_citation_journal_volume        10
_citation_page_first            971
_citation_page_last             982
_citation_article_id            ?
_citation_year                  2026
_citation_DOI                   10.1039/d5qm00922g

loop_
_citation_author_name
"Duminda S. Liurukara"
"Emily D. Williams"
"Tianran Chen"
"Stuart Calder"
"V. Ovidiu Garlea"
"C. Charlotte Buchanan"
"Dustin A. Gilbert"
"Joseph W. Kolisb"
"D. A. Tennant"

_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     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mL1- 2 1 . primary 6 .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal symmetry
1-dim small irrep
The active irrep has two k-vectors. Possible 2k structures involving both k-vectors, which could equally fit the data were not considered.
;

_parent_space_group.name_H-M_alt  "C 2/m"
_parent_space_group.IT_number                      12
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

_parent_space_group.child_transform_Pp_abc  '2a,2b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/4a+1/4b+1/2c,-1/4a+1/4b,c;1/8,1/8,0'


_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                 29.167
_cell_length_b                 11.876
_cell_length_c                 10.179
_cell_angle_alpha              90
_cell_angle_beta               103.47
_cell_angle_gamma              90

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+1/4,y+3/4,z,+1 
3 x+1/4,y+1/4,z+1/2,+1 
4 x+1/2,y+1/2,z,+1 
5 x,y+1/2,z+1/2,+1 
6 x+1/2,y,z+1/2,+1 
7 x+3/4,y+1/4,z,+1 
8 x+3/4,y+3/4,z+1/2,+1 
9 x,y,z+1/2,-1 
10 x+1/2,y,z,-1 
11 x+1/4,y+1/4,z,-1 
12 x,y+1/2,z,-1 
13 x+1/2,y+1/2,z+1/2,-1 
14 x+3/4,y+3/4,z,-1 
15 x+3/4,y+1/4,z+1/2,-1 
16 x+1/4,y+3/4,z+1/2,-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 0.25000 0.00000 1
Co2 Co 0.00000 0.11600 0.25000 1
As1 As 0.43660 0.00000 0.45600 1
Na1 Na 0.13620 0.00000 0.35285 1
O1 O 0.28445 0.00000 0.35050 1
H1 H 0.31735 0.00000 0.36950 1
O2 O 0.45305 0.00000 0.11975 1
O3_1 O 0.20675 0.13085 0.39175 1
O3_2 O 0.79325 0.13085 0.60825 1
O4 O 0.37805 0.00000 0.40620 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
Co1 2.51(2) -0.27(1) -3.01(1) mx,my,mz 4.35 ? ?
Co2 0.51(1) 2.83(7) 0.16(1) mx,my,mz 2.87 ? ?

