#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/18/2025

data_5yOhtAoR
_audit_creation_date            2025-05-18
_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  Ni4 Si1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Journal of Solid State Chemistry"
_citation_journal_volume        222
_citation_page_first            123
_citation_page_last             128
_citation_article_id            .
_citation_year                  2015
_citation_DOI                   10.1016/j.jssc.2014.11.016

loop_
_citation_author_name
"Jinlei Yao"
"O. Isnard"
"A. V. Morozkin"
"T. I. Ivanova"
"Yu. S. Koshkid'ko"
"A. E. Bogdanov"
"S. A. Nikitin"
"W. Suski"

_temperature_position_structure         .
_temperature_atom_positions             298
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            1.5

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     12
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+ 1 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structurem, except cell parameters, from a determination at 298K
FM along b
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep
The MSG assigned in the original reference is wrong and is here corrected
;

_parent_space_group.name_H-M_alt  'C m m m'
_parent_space_group.IT_number                       65
_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  'b,-a,c;0,0,0'


_space_group_magn.number_BNS  65.486
_space_group_magn.name_BNS  "C m m' m'"
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 5.12280
_cell_length_b                 8.28490
_cell_length_c                 3.96790
_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 
3 -x,-y,-z,+1 
4 x,-y,z,+1 
5 x,-y,-z,-1 
6 -x,-y,z,-1 
7 -x,y,z,-1 
8 x,y,-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 

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
Ni1 Ni 0.00000 0.34240 0.00000 1
Ni2 Ni 0.25000 0.25000 0.50000 1
Si1 Si 0.50000 0.00000 0.50000 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 0.0 2.37(5) 0.0  0,my,0  2.37(5) ? ?

