#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/27/2020

data_5yOhtAoR
_audit_creation_date            2020-05-27
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Magn. Magn. Mat."
_citation_journal_volume        30
_citation_page_first            122
_citation_page_last             126
_citation_article_id            ?
_citation_year                  1982
_citation_DOI                   10.1016/0304-8853(82)90018-X

loop_
_citation_author_name
"J. Rossat-Mignod"
"P. Burlet"
"S. Quezel"
"A. Blaise"
"J. Fournier"
"D. Damien"
"A. Wojakowski"




_atomic_positions_source_database_code_ICSD  611116
_atomic_positions_source_other               .

_transition_temperature     52
_experiment_temperature     24.6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mDT4 4 1 general primary 2 .

_exptl_crystal_magnetic_properties_details
;
NSD
Positional structure from a determination at room temperature retrieved from ICSD
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
k-maximal magnetic symmetry (4 possible)
4-dim irrep with 4 k-vectors as primary. It is restrictied to the 2-dim (k,-k) subspace along a general direction
The arbitrary global phase of the modulation is here fixed by the choice of origin for the x4 coordinate in the description of the MSSG operations. This phase is not the same as the one chosen in the publication.
The MSSG allows a cycloidal modulation with the spin rotating on the ac plane.
;

_parent_space_group.name_H-M_alt  "P 4/n m m"
_parent_space_group.IT_number             129
_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 0.141000 0.000000 0.000000


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

_space_group.magn_ssg_name  "Pmmn1'(a00)0s0s"
_space_group.magn_point_group_name  "mmm1'"
_space_group.magn_point_group_number  8.2.25
_cell_length_a                 3.958(2)
_cell_length_b                 3.958(2)
_cell_length_c                 8.098(2)
_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,-x4,+1
3 -x1,x2+1/2,-x3,-x4+1/2,+1
4 x1+1/2,-x2,-x3,x4+1/2,+1
5 -x1,-x2,-x3,-x4,+1
6 x1+1/2,x2+1/2,-x3,x4,+1
7 x1,-x2+1/2,x3,x4+1/2,+1
8 -x1+1/2,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,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
As1 As 0.75 0.25 0 1
Np1 Np 0.25 0.25 0.281 1
As2 As 0.25 0.25 0.639 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
Np1 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
Np1 x 1 0       0   0    mxs1
Np1 y 1 0       0   0    0
Np1 z 1 1.58(1) 0   mzc1 0

