#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/30/2017 16:46:11
# Database entry: 1.1.28 TmMgPb
# Cif-like file for the case 1.1.28


data_5yOhtAoR
_audit_creation_date            2017-11-30
_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                    'Tm Mg Pb'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Journal of Magnetism and Magnetic Materials"
_citation_journal_volume        324
_citation_page_first            2937
_citation_page_last             2952
_citation_article_id            .
_citation_year                  2012
_citation_DOI                   10.1016/j.jmmm.2012.03.037

loop_
_citation_author_name
"Lemoine, P."

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     2.5
_experiment_temperature     1.4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
? ? ? ? ? ? ?

_exptl_crystal_magnetic_properties_details
;
NPD
it coexists with another magnetic structure with propagation vector slightly changed: k2=(0.447(1),0,0), and similar spin modulation.
At 2k, the propagation vector is reported to have a small kz component: k1=(0.404(1),0,0.036(2))
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
k-maximal magnetic symmetry (4 possible)
2-dim active irrep (1-dim small irrep): one to one correspondence between irrep and MSSG
;

_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 0.412000 0.000000 0.000000


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

_space_group.magn_ssg_name  "Immm1'(\a00)0s0s"
_space_group.magn_point_group_name  "mmm1'"
_space_group.magn_point_group_number  "8.2.25"
_cell_length_a                 4.347(1)
_cell_length_b                 4.347
_cell_length_c                 15.824(4)
_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
3 -x1,x2,-x3,-x4+1/2,+1
4 x1,-x2,-x3,x4+1/2,+1
5 -x1,-x2,-x3,-x4,+1
6 x1,x2,-x3,x4,+1
7 x1,-x2,x3,x4+1/2,+1
8 -x1,x2,x3,-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+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
Tm1 Tm 0 0 0.334(1) 1
Mg1_1 Mg 0 0.5 0 1
Mg1_2 Mg -0.5 0 0 1
Pb1 Pb 0 0 0.140(2) 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
Tm1 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
Tm1 x 1 0 0 0 mxs1
Tm1 y 1 0 0 0 0
Tm1 z 1 5.70(6) 0 mzc1 0


