#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/31/2026

data_5yOhtAoR
_audit_creation_date            2026-03-31
_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                    "Nd1 Cd3 P3"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW MATERIALS"
_citation_journal_volume        9
_citation_page_first            .
_citation_page_last             .
_citation_article_id            .
_citation_year                  104414
_citation_DOI                   10.1103/2dcv-nkz7

loop_
_citation_author_name
"Juan R. Chamorro"
"Steven J. Gomez Alvarado"
"Dibyata Rout"
"Sarah Schwarz"
"Allen Scheie"
"Ganesh Pokharel"
"Alexander I. Kolesnikov"
"Lukas Keller"
"Stephen D. Wilson"

_temperature_position_structure         300
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               "Chamorro et al., PHYSICAL REVIEW MATERIALS 7, 094402 (2023); DOI:10.1103/PhysRevMaterials.7.094402"

_transition_temperature     0.34
_experiment_temperature     0.07

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5+ 2 2 special primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 300K retrieved from another reference
;

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

_parent_space_group.name_H-M_alt  'P  6_3/m  m  c'
_parent_space_group.IT_number                       194
_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,-a+b,c;0,0,0'


_space_group_magn.number_BNS  63.462
_space_group_magn.name_BNS  "C m' c' m"
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 4.26040
_cell_length_b                 4.26040
_cell_length_c                 20.91680
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              120.00

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,-y,-z,+1 
4 x,y,-z+1/2,+1 
5 y,x,-z,-1 
6 -y,-x,-z+1/2,-1 
7 -y,-x,z,-1 
8 y,x,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
Nd1 Nd 0.00000 0.00000 0.00000 1
Cd1 Cd 0.33333 0.66667 0.12697 1
Cd2 Cd 0.33333 0.66667 0.75000 1
P1 P 0.33333 0.66667 0.57733 1
P2 P 0.33333 0.66667 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
Nd1 0.41 -0.41 0.0 mx,-mx,mz 0.71(5) ? ?

