#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/18/2021 

data_5yOhtAoR
_audit_creation_date            2021-03-18
_audit_creation_method          "Bilbao Crystallographic Server"


_citation_journal_abbrev        "Journal of the Physical Society of Japan"
_citation_journal_volume        70
_citation_page_first            37
_citation_page_last             40
_citation_article_id            .
_citation_year                  2001
_citation_DOI                   10.1143/JPSJ.70.37

loop_
_citation_author_name
"H. Sato"
"K. Wakiya"
"T. Enoki"
"T. Kiyama"
"Y. Wakabayashi"
"H. Nakao"
"Y. Murakami"

_atomic_positions_source_database_code_ICSD  73716
_atomic_positions_source_other               .

_transition_temperature     93
_experiment_temperature     ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mLD5 4 2 special primary 2 .

_exptl_crystal_magnetic_properties_details
;
XRSC
Mn moment magnitude is not determined. An arbitrary unit value is given here
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
k-maximal magnetic symmetry
4-dim irrep along a special direction as primary
;

_parent_space_group.name_H-M_alt         "P 4_2/m n m"
_parent_space_group.IT_number             136
_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 0.00000 0.00000 0.29700


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

_space_group.magn_ssg_name  "P4_22_121'(0,0,g)-q00s"
_space_group.magn_point_group_name  "4221'"
_space_group.magn_point_group_number  12.2.41
_cell_length_a                 4.40410
_cell_length_b                 4.40410
_cell_length_c                 2.87650
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              90.00000

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+1/2,-x3+1/2,-x4,+1
3 -x1+1/2,x2+1/2,-x3+1/2,-x4+1/2,+1
4 -x1,-x2,x3,x4+1/2,+1
5 -x2,-x1,-x3,-x4+3/4,+1
6 -x2+1/2,x1+1/2,x3+1/2,x4+3/4,+1
7 x2+1/2,-x1+1/2,x3+1/2,x4+1/4,+1
8 x2,x1,-x3,-x4+1/4,+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
Mn1 Mn 0.00000 0.00000 0.00000 1
O1 O 0.30460 0.30460 0.00000 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
Mn1 0.00000 0.00000 0.00000 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
Mn1 x 1 0.0  -1.0 mxc1 -myc1
Mn1 y 1 1.0   0.0 myc1 -mxc1
Mn1 z 1 0.00000 0.00000 0 0

