#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 09/17/2022

data_5yOhtAoR
_audit_creation_date            2022-09-17
_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                    "U1 Ni1 Ga1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Journal of Magnetism and Magnetic Materials"
_citation_journal_volume        104-107
_citation_page_first            21
_citation_page_last             22
_citation_article_id            .
_citation_year                  1992
_citation_DOI                   10.1016/0304-8853(92)90684-G

loop_
_citation_author_name
"H.Maletta"
"R. A. Robinson"
"A. C. Lawson"
"V. Sechovsky"
"L. Havela"
"L. Jirman"
"M. Divis"
"E. Bruck"
"F. R. De Boer"
"A. V. Andreev"
"K. H. J. Buschow"
"P. Burlet"

_temperature_position_structure         60
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  106739
_atomic_positions_source_other               .

_transition_temperature     38
_experiment_temperature     3

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mDT2[001/6] 2 1 special primary 2 .
mDT2[001/3] 2 1 special primary 2 .
mA2 1 1 . secondary 1 yes
mGM2 1 1 . secondary 1 no

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a measurement at 60K
The NPD patterns at 3K were interpreted as having magnetic reflections with propagation vectors (0,0,1/6) and (0,0,1/3). This second vector cannot be considered as a magnetic harmonic of the first one, as it breaks further the symmetry of the system. Therefore the model is 2k magnetic ordering.
Moment magnitude is estimated from NSD data.
;

_active_magnetic_irreps_details
;
2k magnetic structure
2k-maximal symmetry
Two 2-dim full (k and -k) irreps with k-vectors (0,0,1/6) and (0,0,1/3) along special directions (special phase of the magnetic wave) are involved as primary irreps. Therefore two independent order parameters in the sense of Landau theory are present in the magnetic arrangement.
A secondary third order magnetic harmonic with k=(0,0,1/2) is also present.
A symmetry-allowed third harmonic of the primary wave vector (0 0 1/3) with k=0, involving the mx moment component, is not present.
The MSG is not compatible with FM
;

_parent_space_group.name_H-M_alt  'P -6 2 m'
_parent_space_group.IT_number                       189
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 1/6]
k2 [0 0 1/3]
k3 [0 0 1/2]

_parent_space_group.child_transform_Pp_abc  'a,b,6c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'


_space_group_magn.number_BNS  189.224
_space_group_magn.name_BNS  "P -6' 2 m'"
_space_group_magn.point_group_name  "-6'm'2"
_space_group_magn.point_group_number  "26.3.97"
_cell_length_a                 6.70120
_cell_length_b                 6.70120
_cell_length_c                 24.05270
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              120.00000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -y,x-y,z,+1 
3 -x+y,-x,z,+1 
4 x-y,-y,-z,+1 
5 y,x,-z,+1 
6 -x,-x+y,-z,+1 
7 -x+y,-x,-z,-1 
8 x,y,-z,-1 
9 -y,x-y,-z,-1 
10 -x,-x+y,z,-1 
11 x-y,-y,z,-1 
12 y,x,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
Ga1_1 Ga 0.24041 0.00000 0.00000 1
Ga1_2 Ga 0.24041 0.00000 0.66667 1
Ga1_3 Ga 0.24041 0.00000 0.16667 1
Ga1_4 Ga 0.24041 0.00000 0.50000 1
Ni1_1 Ni 0.00000 0.00000 0.08333 1
Ni1_2 Ni 0.00000 0.00000 0.58333 1
Ni1_3 Ni 0.00000 0.00000 0.25000 1
Ni2_1 Ni 0.33333 0.66667 0.00000 1
Ni2_2 Ni 0.33333 0.66667 0.33333 1
Ni2_3 Ni 0.33333 0.66667 0.16667 1
Ni2_4 Ni 0.33333 0.66667 0.50000 1
U1_1 U 0.57754 0.00000 0.08333 1
U1_2 U 0.57754 0.00000 0.58333 1
U1_3 U 0.57754 0.00000 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
U1_1 0.0 0.0 1.4(2) mx,0,mz 1.4(2) ? ?
U1_2 0.0 0.0 1.4(2) mx,0,mz 1.4(2) ? ?
U1_3 0.0 0.0 -1.4(2) mx,0,mz 1.4(2) ? ?

