#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 07/25/2022
# with additional data provided by O. Garlea

data_5yOhtAoR
_audit_creation_date            2022-07-25
_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                    "Na1 Co2 Se1 O7 H1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Inorg. Chem. Front"
_citation_journal_volume        9
_citation_page_first            4329
_citation_page_last             4340
_citation_article_id            .
_citation_year                  2022
_citation_DOI                   10.1039/d2qi01072k

loop_
_citation_author_name
"L. D. Sanjeewa"
"V. O. Garlea"
"K. M. Taddei"
"L. Yin"
"J. Xing"
"R. S. Fishman"
"D. S. Parker"
"A. S. Sefat"

_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     11
_experiment_temperature     6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+ 1 1 . primary 4 .

_exptl_crystal_magnetic_properties_details
;
NPD
Atomic positions used here were refined from 6K neutron data, but are not reported in the paper. The reported position at 295K seem to be defective.
FM along b.
Below 6K another magnetic phase, where Co1 is also ordered, is reported 
;

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

_parent_space_group.name_H-M_alt  'P n m a'
_parent_space_group.IT_number                       62
_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  62.448
_space_group_magn.name_BNS  "P n' m a'"
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 13.20953
_cell_length_b                 6.01127
_cell_length_c                 8.31467
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_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 
3 -x,-y,-z,+1 
4 x,-y+1/2,z,+1 
5 x+1/2,-y+1/2,-z+1/2,-1 
6 -x+1/2,-y,z+1/2,-1 
7 -x+1/2,y+1/2,z+1/2,-1 
8 x+1/2,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
Na1 Na  0.25020  0.25000  0.86810  1.00000 
Co1 Co  0.10950  0.25000  0.21130  1.00000 
Co2 Co  0.00000  0.00000  0.50000  1.00000 
Se1 Se  0.32930  0.25000  0.22510  1.00000 
Se2 Se  0.97470  0.25000  0.88180  1.00000 
O1 O  0.10190  0.25000  0.46280  1.00000
H1 H  0.15700  0.25000  0.52900  1.00000
O2 O  0.39120  0.25000  0.04310  1.00000
O3 O  0.08990  0.25000  0.96770  1.00000
O4 O  0.98540  0.03020  0.75300  1.00000
O5 O  0.24560  0.04130  0.19550  1.00000

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 0.0 0.0 0.0 0,my,0 0.0 ? ?
Co2 0.72(4) 2.56(1) 0.45(3) mx,my,mz 2.7 ? ?

