#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/24/2021

data_5yOhtAoR
_audit_creation_date            2021-10-24
_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                    "Nd Os2 Al10"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        33
_citation_page_first            .
_citation_page_last             .
_citation_article_id            185802
_citation_year                  2021
_citation_DOI                   10.1088/1361-648X/abee3b

loop_
_citation_author_name
"C. Ritter"
"D. T. Adroja"
"M. D. Le"
"Y. Muro"
"T. Takabatake"

_temperature_position_structure         6
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD   .
_atomic_positions_source_other                .

_transition_temperature     2.2
_experiment_temperature     1.6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mDT3 2 1 general primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a determination at 6K.
The MSSG of the structure includes operations transforming k into -k, and its choice of origin along x4 fixes the arbitrary global phase of the modulation. This phase is here shifted about 0.274*2Pi, with respect that used in the description of the paper.
Amplitude Nd moment modulation: 1.59(1)
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
k-maximal symmetry
2-dim irrep
;

_parent_space_group.name_H-M_alt  "C m c m"
_parent_space_group.IT_number             63
_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 0.7229 0.00000


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

_space_group.magn_ssg_name  "Cmcm1'(0,b,0)00ss"
_space_group.magn_point_group_name  "mmm1'"
_space_group.magn_point_group_number  8.2.25
_cell_length_a                 9.10900
_cell_length_b                 10.22200
_cell_length_c                 9.14100
_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,-x2,-x3,-x4,+1
3 -x1,x2,-x3+1/2,x4+1/2,+1
4 -x1,-x2,x3+1/2,-x4+1/2,+1
5 -x1,-x2,-x3,-x4,+1
6 -x1,x2,x3,x4,+1
7 x1,-x2,x3+1/2,-x4+1/2,+1
8 x1,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
3 x1+1/2,x2+1/2,x3,x4,+1
4 x1+1/2,x2+1/2,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
Nd1_1 Nd 0.00000 0.12700 0.25000 1
Os1_1 Os 0.25000 0.25000 0.00000 1
Al3_1 Al 0.21600 0.36380 0.25000 1
Al1_1 Al 0.35340 0.13310 0.25000 1
Al4_1 Al 0.00000 0.15590 0.59630 1
Al2_1 Al 0.00000 0.37840 0.05040 1
Al5_1 Al 0.21990 0.00000 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
_atom_site_moment.magnitude
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Nd1_1 0.00000 0.00000 0.00000 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
Nd1_1 x 1 0.66 -1.45 Mxc1 Mxs1
Nd1_1 y 1 0.00000 0.00000 0 0
Nd1_1 z 1 0.00000 0.00000 0 0

