#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 12/29/2024

data_5yOhtAoR
_audit_creation_date            2024-12-29
_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                    "Pb1 Co2 V2 O8"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        108
_citation_page_first            .
_citation_page_last             .
_citation_article_id            144432
_citation_year                  2023
_citation_DOI                   10.1103/PhysRevB.108.144432

loop_
_citation_author_name
"K. Puzniak"
"C. Aguilar-Maldonado"
"R. Feyerherm"
"K. Prokes"
"A. T. M. N. Islam"
"Y. Skourski"
"L. Keller"
"B. Lake"

_temperature_position_structure         120
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     4
_experiment_temperature     0.3

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM5 2 2 special primary 6 .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a determination at 120K
;

_active_magnetic_irreps_details
;
1k magnetic structure
2-dim irrep along a special direction
;

_parent_space_group.name_H-M_alt  'I 4_1 c d'
_parent_space_group.IT_number                       110
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

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


_space_group_magn.number_BNS  29.110
_space_group_magn.name_BNS  "P_I c a 2_1"
_space_group_magn.point_group_name  "mm21'"
_space_group_magn.point_group_number  "7.2.21"
_cell_length_a                 12.26100
_cell_length_b                 12.26100
_cell_length_c                 8.37410
_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+1/2,-y+1/2,z+1/2,+1 
3 x,-y,z+1/2,+1 
4 -x+1/2,y+1/2,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+1/2,-1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb1_1 Pb 0.00000 0.00000 0.00000 1
Pb1_2 Pb 0.00000 0.50000 0.25000 1
Co1_1 Co 0.33220 0.33030 0.17070 1
Co1_2 Co 0.66970 0.83220 0.42070 1
V1_1 V 0.26060 0.07160 0.04640 1
V1_2 V 0.92840 0.76060 0.29640 1
O1_1 O 0.14580 0.49580 0.00000 1
O1_2 O 0.50420 0.64580 0.25000 1
O2_1 O 0.33980 0.67100 0.42730 1
O2_2 O 0.32900 0.83980 0.67730 1
O3_1 O 0.15940 0.68160 0.66430 1
O3_2 O 0.31840 0.65940 0.91430 1
O4_1 O 0.32200 0.49870 0.14150 1
O4_2 O 0.50130 0.82200 0.39150 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_1 -0.10(7) 0.0 1.44(3) mx,my,mz 1.44(3) ? ?
Co1_2 -0.10(7) 0.0 1.44(3) mx,my,mz 1.44(3) ? ?

