#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/15/2023

data_5yOhtAoR
_audit_creation_date            2023-02-15
_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                    "Ho1 P1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW 8"
_citation_journal_volume        31
_citation_page_first            456
_citation_page_last             469
_citation_article_id            .
_citation_year                  1985
_citation_DOI                   10.1103/PhysRevB.31.456

loop_
_citation_author_name
"P. Fischer"
"A. Furrer"
"E. Kaldis"
"D. Kim"
"J. K. Kjems"
"P. M. Levy"

_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     4.8
_experiment_temperature     4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mL3+ 8 2 special primary 1 .
mGM4+ 3 3 special primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
The MSG allows FM on the plane perpendicular to [1,-1,0]
The model implies non-zero macroscopic magnetization along (1,1,0)
Between 5.4K anf 4.8K the system is a simple ferromagnet with easy axis along one of the cubic main directions
;

_active_magnetic_irreps_details
;
2k magnetic structure
2-dim irrep along a special direction for the propagation vector (1/2,1/2,1/2) 
3-dim irrep along a plane for the k=0 component
Moments in the arrangement according to mL3 are directed along (1,-1,0), while those of the mGM4 arrangement are along (1,1,0). The final arrangement of the model with the moments essentially along the main cubic axes requires the combination of these two components, which are according to different irreps, with essentially equal amplitudes.
;

_parent_space_group.name_H-M_alt  'F m -3 m'
_parent_space_group.IT_number                       225
_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]
k2 [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  '3/4a+3/4b+1/2c,-1/4a+1/4b,1/4a+1/4b+1/2c;0,7/8,1/8'

_space_group_magn.number_BNS  15.89
_space_group_magn.name_BNS  "C 2'/c'"
_space_group_magn.point_group_name  "2'/m'"
_space_group_magn.point_group_number  "5.5.16"
_cell_length_a                 11.234
_cell_length_b                 11.234
_cell_length_c                 11.234
_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+3/4,-z+1/4,+1 
3 -y,-x,-z+1/2,-1 
4 y+1/4,x,z+1/4,-1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x,y+1/4,z+3/4,+1 
3 x,y+1/2,z+1/2,+1 
4 x,y+3/4,z+1/4,+1 
5 x+1/4,y,z+3/4,+1 
6 x+1/4,y+1/4,z+1/2,+1 
7 x+1/4,y+1/2,z+1/4,+1 
8 x+1/4,y+3/4,z,+1 
9 x+1/2,y,z+1/2,+1 
10 x+1/2,y+1/4,z+1/4,+1 
11 x+1/2,y+1/2,z,+1 
12 x+1/2,y+3/4,z+3/4,+1 
13 x+3/4,y,z+1/4,+1 
14 x+3/4,y+1/4,z,+1 
15 x+3/4,y+1/2,z+3/4,+1 
16 x+3/4,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
Ho1 Ho 0.00000 0.00000 0.00000 1
P1 P 0.25000 0.25000 0.25000 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
Ho1 9.16(4) 0.18(3) 0.0 mx,my,mz 9.16(4) ? ?

