#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/24/2025

data_5yOhtAoR
_audit_creation_date            2025-01-24
_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                    "Cr1 Lu1 O6 W1"
_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            014435
_citation_year                  2023
_citation_DOI                   10.1103/PhysRevB.108.014435

loop_
_citation_author_name
"S. Mishra"
"P. Yanda"
"F. Orlandi"
"P. Manuel"
"H.-J. Koo"
"M.-H. Whangbo"
"A. Sundaresan"

_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     19.2
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1 1 1 . primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from refinement at 1.5K using the parent space group
Cr moment magnitude at other temperatures:  2.457(9) at 6K and 2.176(9) at 12K
;

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

_parent_space_group.name_H-M_alt  'P n a 2_1'
_parent_space_group.IT_number                       33
_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  33.144
_space_group_magn.name_BNS  "P n a 2_1"
_space_group_magn.point_group_name  "mm2"
_space_group_magn.point_group_number  "7.1.20"
_cell_length_a                 10.8575(1)
_cell_length_b                 5.0990(1)
_cell_length_c                 7.2623(1)
_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,z+1/2,+1 
3 -x+1/2,y+1/2,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 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Lu1 Lu 0.9557(1) 0.5468(2) 0.4997(4) 1
Cr1 Cr 0.1343(4) 0.9564(10) 0.2563(8) 1
W1 W 0.3521(3) 0.4404(8) 0.2444(7) 1
O1 O 0.0229(3) 0.2484(7) 0.3044(9) 1
O2 O 0.4764(3) 0.7338(7) 0.2156(9) 1
O3 O 0.2124(4) 0.6105(8) 0.1888(8) 1
O4 O 0.2911(3) 0.1242(7) 0.3232(8) 1
O5 O 0.1170(1) 0.8194(2) 0.4964(11) 1
O6 O 0.35742(12) 0.5669(2) 0.4868(9) 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
Cr1 0.0 2.507(9) 0.0 mx,my,mz 2.507(9) ? ?

