#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 04/03/2020
# Corrected: 04/22/2021

data_5yOhtAoR
_audit_creation_date            2020-04-03
_audit_creation_method          "Bilbao Crystallographic Server"


_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        14
_citation_page_first            3285
_citation_page_last             3294
_citation_article_id            ?
_citation_year                  2002
_citation_DOI                   10.1088/0953-8984/14/12/315

loop_
_citation_author_name
"A Munoz"
"J A Alonso"
"M T Casais"
"M J Martinez-Lope"
"J L Martinez"
"M T Fernandez-Diaz"

_atomic_positions_source_database_code_ICSD  190398
_atomic_positions_source_other               .

_temperature_position_structure         293
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_transition_temperature     42
_experiment_temperature     1.7

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mSM2 2 1 general primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a room temperature determination
The figure showing a scheme of the modulated structure in the original reference is inconsistent with the reported propagation vector of the structure. Here the value reported in the text and table has been assumed correct.
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim small irrep (2-dim irrep along a general direction) 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 0.4344(12) 0.000000 0.000000


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

_space_group.magn_ssg_name  "Pnma1'(a00)0sss"
_space_group.magn_point_group_name  "mmm1'"
_space_group.magn_point_group_number  8.2.25
_cell_length_a                 5.7970
_cell_length_b                 7.3606
_cell_length_c                 5.2404
_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+1/2,-x3+1/2,x4,+1
3 -x1,x2+1/2,-x3,-x4+1/2,+1
4 -x1+1/2,-x2,x3+1/2,-x4+1/2,+1
5 -x1,-x2,-x3,-x4,+1
6 -x1+1/2,x2+1/2,x3+1/2,-x4,+1
7 x1,-x2+1/2,x3,x4+1/2,+1
8 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
Y1 Y 0.0855 0.25 0.9819 1
Mn1 Mn 0 0 0.5 1
O1 O 0.466 0.25 0.1093 1
O2 O 0.3266 0.052 0.7005 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 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
Mn1 x 1 3.89(6) 0 mxc1 0
Mn1 y 1 0 0 myc1 0
Mn1 z 1 0 0 mzc1 0

