#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/05/2019

data_5yOhtAoR
_audit_creation_date            2019-10-05
_audit_creation_method          "Bilbao Crystallographic Server"


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        55
_citation_page_first            6584
_citation_page_last             6598
_citation_article_id            ?
_citation_year                  1997
_citation_DOI                   10.1103/PhysRevB.55.6584

loop_
_citation_author_name
"J.W. Lynn"
"S. Skanthakumar"
"Q. Huang"
"S.K. Sinha"
"Z. Hossain"
"L.C. Gupta"
"R. Nagarajan"
"C. Godart"


_atomic_positions_source_database_code_ICSD  56648
_atomic_positions_source_other               .

_transition_temperature     15.4
_experiment_temperature     1.7

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mSM2(k1) 4 1 . primary 1 .
mSM2(3k1) 4 1 . secondary 1 yes

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a room temperature model
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
A single 1-dim small irrep as primary
A third harmonic that squares up the modulation is also present. It corresponds to the same irrep, which is allowed as secondary irrep for all odd harmonics.
;

_parent_space_group.name_H-M_alt  'I 4/m m m'
_parent_space_group.IT_number             139
_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 0.555000 0.000000 0.000000


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


_space_group.magn_ssg_name  "Immm1'(a00)0sss"
_space_group.magn_point_group_name  "mmm1'"
_space_group.magn_point_group_number  8.2.25
_cell_length_a                 3.5536
_cell_length_b                 3.5536
_cell_length_c                 10.4352
_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,-x2,x3,-x4+1/2,+1
3 -x1,x2,-x3,-x4+1/2,+1
4 x1,-x2,-x3,x4,+1
5 -x1,-x2,-x3,-x4,+1
6 x1,x2,-x3,x4+1/2,+1
7 x1,-x2,x3,x4+1/2,+1
8 -x1,x2,x3,-x4,+1

loop_
_space_group_symop_magn_ssg_centering.id
_space_group_symop_magn_ssg_centering.algebraic
1 x1,x2,x3,x4,+1
2 x1+1/2,x2+1/2,x3+1/2,x4,+1
3 x1,x2,x3,x4+1/2,-1
4 x1+1/2,x2+1/2,x3+1/2,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
Tb1 Tb 0 0 0 1
Ni1 Ni 0.5 0 0.25 1
B1 B 0 0 0.3574 1
C1 C 0.5 0.5 0 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

loop_
_atom_site_Fourier_wave_vector.seq_id
_atom_site_Fourier_wave_vector.q1_coeff
1 1
2 2
3 3

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 9.90(36) 0 mxc1 0
Tb1 y 1 0 0 0 0
Tb1 z 1 0 0 0 0
Tb1 x 2 0 0 0 0
Tb1 y 2 0 0 0 0
Tb1 z 2 0 0 0 0
Tb1 x 3 -2.28(13) 0 mxc3 0
Tb1 y 3 0 0 0 0
Tb1 z 3 0 0 0 0

