#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/17/2019

data_5yOhtAoR
_audit_creation_date            2019-01-17
_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                    "Ni1 Tb3"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        97
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            134425
_citation_year                  2018
_citation_DOI                   10.1103/PhysRevB.97.134425

loop_
_citation_author_name
"A.F. Gubkin"
"L.S. Wu"
"S.E. Nikitin"
"A.V. Suslov"
"A. Podlesnyak"
"O. Prokhnenko"
"K. Prokes"
"F. Yokaichiya"
"L. Keller"
"N.V. Baranov"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     61
_experiment_temperature     58

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mV2 4 1 . primary 18 .

_exptl_crystal_magnetic_properties_details
;
NPD
At lower temperatures more complicated phases are reported with coexistence of several propagation vectors that are not symmetry related.
Average structure (Pnma) from an experiment at 65K in the paramagnetic phase.
;

_active_magnetic_irreps_details
;
1k magnetic structures
1-dim small irrep active (2 possible)
Symmetry operations transforming k and -k are included in the superspace group, and the spin modulations of Tb atoms related by these operations have correlated spin modulations.
The spin modulations of the two split sites coming from the Tb2 site in the paramagnetic phase are very different.
;

_parent_space_group.name_H-M_alt  "P n m a"
_parent_space_group.IT_number             62
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

_cell_modulation_dimension               1

loop_
_cell_wave_vector_seq_id
_cell_wave_vector_x
_cell_wave_vector_y
_cell_wave_vector_z
1 0.506000 0.299000 0.000000


_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'

_space_group.magn_ssg_name  "P1121/a1'(\a\b0)0ss"
_space_group.magn_point_group_name  "2/m1'"
_space_group.magn_point_group_number  5.2.13
_cell_length_a                 6.8342(3)
_cell_length_b                 9.5262(4)
_cell_length_c                 6.3306(3)
_cell_angle_alpha              90
_cell_angle_beta               90
_cell_angle_gamma              90

loop_
_space_group_symop_magn_ssg_operation.id
_space_group_symop_magn_ssg_operation.algebraic
1 x1,x2,x3,x4,+1
2 -x1+1/2,-x2,x3+1/2,-x4+1/2,+1
3 -x1,-x2,-x3,-x4,+1
4 x1+1/2,x2,-x3+1/2,x4+1/2,+1

loop_
_space_group_symop_magn_ssg_centering.id
_space_group_symop_magn_ssg_centering.algebraic
1 x1,x2,x3,x4,+1
2 x1,x2,x3,x4+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
Ni1 Ni 0.3918 0.25 0.5531 1
Tb1 Tb 0.0309 0.25 0.3562 1
Tb2_1 Tb 0.18 0.0651 0.8209 1
Tb2_2 Tb 0.82 0.5651 0.1791 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
Tb1 0 0 0 0,0,0
Tb2_1 0 0 0 0,0,0
Tb2_2 0 0 0 0,0,0

loop_
_atom_site_Fourier_wave_vector.seq_id
_atom_site_Fourier_wave_vector.q1_coeff
1 1

loop_
_atom_site_moment_Fourier.atom_site_label
_atom_site_moment_Fourier.axis
_atom_site_moment_Fourier.wave_vector_seq_id
_atom_site_moment_Fourier_param.cos
_atom_site_moment_Fourier_param.sin
_atom_site_moment_Fourier_param.cos_symmform
_atom_site_moment_Fourier_param.sin_symmform
Tb1 x 1 1.4(2) 0.4(2) mxc1 mxs1
Tb1 y 1 -0.3(2) 0.0(2) myc1 mys1
Tb1 z 1 4.4(1) 1.8(1) mzc1 mzs1
Tb2_1 x 1 -0.4(3) -1.3(2) mxc1 mxs1
Tb2_1 y 1 -1.1(3) -2.5(1) myc1 mys1
Tb2_1 z 1 0.9(1) 5.0(1) mzc1 mzs1
Tb2_2 x 1 -1.1(3) 1.0(2) mxc1 mxs1
Tb2_2 y 1 0.7(2) -0.8(2) myc1 mys1
Tb2_2 z 1 2.5(1) -2.3(1) mzc1 mzs1


loop_
_atom_site_displace_Fourier_atom_site_label
_atom_site_displace_Fourier_axis
_atom_site_displace_Fourier_wave_vector_seq_id
_atom_site_displace_Fourier_param_cos
_atom_site_displace_Fourier_param_sin
? ? ? ? ?

loop_
_atom_site_displace_Fourier_atom_site_sym_constraints_label
_atom_site_displace_Fourier_sym_constraints_axis
_atom_site_displace_Fourier_wave_vector_sym_constraints_seq_id
_atom_site_displace_Fourier_sym_constraints_param_cos
_atom_site_displace_Fourier_sym_constraints_param_sin
? ? ? ? ?
