#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/30/2017 16:46:24
# Database entry: 1.1.33 CeAuAl3
# Cif-like file for the case 1.1.33


data_5yOhtAoR
_audit_creation_date            2017-11-30
_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                    'Ce Au Al3'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        91
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            134425
_citation_year                  2015
_citation_DOI                   10.1103/PhysRevB.91.134425

loop_
_citation_author_name
"D.T. Adroja"
"C. de la Fuente"
"A. Fraile"
"A.D. Hillier"
"A. Daoud-Aladine"
"W. Kockelmann"
"J.W. Taylor"
"M.M. Koza"
"E. Burzur"
"F. Luis"
"J.I. Arnaudas"
"A. del Moral"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     1.2
_experiment_temperature     0.3

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mLD5LD5 4 2 special primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
positional structure from a measurement at 9K
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
k-maximal symmetry (4 possible)
active irrep 4-dim (4 alternative MSSGs possible for the same irrep)
the arbitrary modulation phase allowed by the MSSG has been chosen choosing the moment orientation of the Ce atom at the origin.
Symmetry-protected circular helix spin modulation.
Equivalent twin related configuration with opposite chirality, and enantiomorphic MSSG exists.
;

_parent_space_group.name_H-M_alt              'I 4m m'
_parent_space_group.IT_number             107
_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 0.000000 0.000000 0.52


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

_space_group.magn_ssg_name  "I41'(00\g)qs"
_space_group.magn_point_group_name  "41'"
_space_group.magn_point_group_number  "9.2.30"
_cell_length_a                 4.3172
_cell_length_b                 4.3172
_cell_length_c                 10.8090
_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,-x2,x3,x4+1/2,+1
3 -x2,x1,x3,x4+1/4,+1
4 x2,-x1,x3,x4+3/4,+1

loop_
_space_group_symop_magn_ssg_centering.id
_space_group_symop_magn_ssg_centering.algebraic
1 x1,x2,x3,x4,+1
2 x1+1/2,x2+1/2,x3+1/2,x4,+1
3 x1,x2,x3,x4+1/2,-1
4 x1+1/2,x2+1/2,x3+1/2,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
Ce1 Ce 0 0 0 1
Au1 Au 0 0 0.631 1
Al1 Al 0 0 0.407 1
Al2 Al 0 0.5 0.258 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
Ce1 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
Ce1 x 1 0 -1.05(9) mys1 mxs1
Ce1 y 1 1.05(9) 0 -mxs1 mys1
Ce1 z 1 0 0 0 0


