#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 09/18/2022

data_5yOhtAoR
_audit_creation_date            2022-09-18
_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                    "Np1 F1 Ga5"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Physica B"
_citation_journal_volume        359-361
_citation_page_first            1147
_citation_page_last             1149
_citation_article_id            .
_citation_year                  2005
_citation_DOI                   10.1016/j.physb.2005.01.304

loop_
_citation_author_name
"F. Honda"
"N. Metoki"
"K. Kaneko"
"D. Aoki"
"Y. Homma"
"E. Yamamoto"
"Y. Shiokawa"
"Y. Onuki"
"E. Colineau"
"N. Bernhoeft"
"G. H. Lander"

_temperature_position_structure         293
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               "Maehira et al., New_J._Phys._8, 24 (2006) DOI:10.1088/1367-2630/8/2/024 "

_transition_temperature     118
_experiment_temperature     8.8

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM5+ 2 2 special primary 1  .

_exptl_crystal_magnetic_properties_details
;
NSD
Position structure is not give, Here a model at room temperature retrieved from the literature is used
The paper describes the magnetic arrangement as "ferrimagnetic", but this term is not appropriate for the proposed structure. No FM component is symmetry allowed.
The direction of the moments on the basal xy plane is undetermined. Here a direction of maximal symmetry is arbitrarily chosen.
;

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

_parent_space_group.name_H-M_alt  'P 4/m m m'
_parent_space_group.IT_number                       123
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 1/2 0]

_parent_space_group.child_transform_Pp_abc  '2a,2b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'

_space_group_magn.number_BNS  67.509
_space_group_magn.name_BNS  "C_a m m a"
_space_group_magn.point_group_name  "mmm1'"
_space_group_magn.point_group_number  "8.2.25"
_cell_length_a                 8.514
_cell_length_b                 8.514
_cell_length_c                 6.761
_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+1/2,y,-z,+1 
4 -x+1/2,-y,z,+1 
5 -x,-y,-z,+1 
6 -x,y,z,+1 
7 x+1/2,-y,z,+1 
8 x+1/2,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 
3 x,y+1/2,z,-1 
4 x+1/2,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
Np1 Np 0.00000 0.00000 0.00000 1
Fe1 Fe 0.00000 0.00000 0.50000 1
Ga1 Ga 0.25000 0.25000 0.00000 1
Ga2_1 Ga 0.00000 0.25000 0.30110 1
Ga2_2 Ga 0.25000 0.00000 0.30110 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
Np1 0.86 0.0 0.0 mx,0,0 0.86 ? ?
Fe1 -0.24 0.0 0.0 mx,0,0 -0.24 ? ?

