#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/30/2017 16:45:15
# Database entry: 1.1.3 Cr
# Cif-like file for the case 1.1.3


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                    'Cr'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        24
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            163201
_citation_year                  2012
_citation_DOI                   10.1088/0953-8984/24/16/163201

loop_
_citation_author_name
"J.M. Perez-Mato"
"J.L. Ribeiro"
"V. Petricek"
"M.I. Aroyo"




_atomic_positions_source_database_code_ICSD   625717
_atomic_positions_source_other               .

_transition_temperature     311
_experiment_temperature     ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mDT5 12 2 special primary 1 .

_exptl_crystal_magnetic_properties_details
;
Phase I
only approximate modulation wave vector and moment values
see also: Rev. Mod. Phys. 60, 209 (1988) and and PHYSICAL REVIEW B 51, 10336 (1995).
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
2-dim active small irrep (8 possible different ssgroups for this irrep)
;

_parent_space_group.name_H-M_alt              'I m -3m'
_parent_space_group.IT_number             229
_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 0.950000


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

_space_group.magn_ssg_name  "Immm1'(00\g)s00s"
_space_group.magn_point_group_name  "mmm1'"
_space_group.magn_point_group_number  "8.2.25"
_cell_length_a                 2.884
_cell_length_b                 2.884
_cell_length_c                 2.884
_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 -x1,x2,-x3,-x4,+1
4 x1,-x2,-x3,-x4+1/2,+1
5 -x1,-x2,-x3,-x4,+1
6 x1,x2,-x3,-x4+1/2,+1
7 x1,-x2,x3,x4,+1
8 -x1,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+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
Cr1 Cr 0 0 0 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
Cr1 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
Cr1 x 1 0 0 0 0
Cr1 y 1 0.4 0 myc1 0
Cr1 z 1 0 0 0 0


