#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/29/2020

data_5yOhtAoR
_audit_creation_date            2020-03-29
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "New Journal of Physics"
_citation_journal_volume        11
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            043019
_citation_year                  2009
_citation_DOI                   10.1088/1367-2630/11/4/043019

loop_
_citation_author_name
"V.Y. Pomjakushin"
"M. Kenzelmann"
"A. Donni"
"A.B. Harris"
"T. Nakajima"
"S. Mitsuda"
"M. Tachibana"
"L. Keller"
"J. Mesot"
"H. Kitazawa"
"E. Takayama-Muromachi"




_atomic_positions_source_database_code_ICSD  162209
_atomic_positions_source_other               .

_transition_temperature     40
_experiment_temperature     35

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mSM3 2 1 general primary 5 .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a determination at room temperature taken from the icsd
Below 32K the phase becomes commensurate with wave vector (1/2,0,0)
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
1-dim small irrep (2-dim k,-k irrep) as primary
;

_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 0.450000 0.000000 0.000000


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

_space_group.magn_ssg_name  "Pnma1'(a00)00ss
_space_group.magn_point_group_name  "mmm1'"
_space_group.magn_point_group_number  8.2.25
_cell_length_a                 5.8157
_cell_length_b                 7.3218
_cell_length_c                 5.231
_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+1/2,-x3,-x4,+1
4 x1+1/2,-x2+1/2,-x3+1/2,x4+1/2,+1
5 -x1,-x2,-x3,-x4,+1
6 x1+1/2,x2,-x3+1/2,x4+1/2,+1
7 x1,-x2+1/2,x3,x4,+1
8 -x1+1/2,x2+1/2,x3+1/2,-x4+1/2,+1
9 x1,x2,x3,x4+1/2,-1
10 -x1+1/2,-x2,x3+1/2,-x4,-1
11 -x1,x2+1/2,-x3,-x4+1/2,-1
12 x1+1/2,-x2+1/2,-x3+1/2,x4,-1
13 -x1,-x2,-x3,-x4+1/2,-1
14 x1+1/2,x2,-x3+1/2,x4,-1
15 x1,-x2+1/2,x3,x4+1/2,-1
16 -x1+1/2,x2+1/2,x3+1/2,-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,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
Tm1 Tm 0.085 0.25 0.982 1
Mn1 Mn 0 0 0.5 1
O1 O 0.468 0.25 0.111 1
O2 O 0.326 0.056 0.704 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
Mn1 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 0
Tm1 y 1 0 0 myc1 mys1
Tm1 z 1 0 0 0 0
Mn1 x 1 2.98 0 mxc1 0
Mn1 y 1 0.0 0 myc1 0
Mn1 z 1 0.95 0 mzc1 0

