#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/30/2017 16:45:43
# Database entry: 1.1.16 CeRhIn5
# Cif-like file for the case 1.1.16


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 Rh In5'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        62
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            R14621
_citation_year                  2000
_citation_DOI                   10.1103/PhysRevB.62.R14621

loop_
_citation_author_name
"W. Bao"
"P.G. Pagliuso"
"J.L. Sarrao"
"J.D. Thompson"
"Z. Fisk"
"J.W. Lynn"
"R.W. Erwin"




_atomic_positions_source_database_code_ICSD   150226
_atomic_positions_source_other               .

_transition_temperature     3.8
_experiment_temperature     1.4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mV5 4 2 special primary 1 .

_exptl_crystal_magnetic_properties_details
;
NSD
two erratum articles correct the original reference
;

_active_magnetic_irreps_details
;
1k magnetic structur
k-maximal magnetic symmetry.
circular screw spiral Ce spin modulations are symmetry-protected.
7 different MSSGs are possible for the same active irrep.
Experiment cannot distinguish the model from an alternative collinear arrangement with spins along x (its MSSG Pmmm1'(1/2,1/2,g)0s0s would also be k-maximal, and  with the same active irrep).
;

_parent_space_group.name_H-M_alt              'P 4/m m m'
_parent_space_group.IT_number             123
_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 0.500000 0.500000 0.297000


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

_space_group.magn_ssg_name  "P4221'(1/2,1/2,\g)q00s"
_space_group.magn_point_group_name  "4221'"
_space_group.magn_point_group_number  "12.2.41"
_cell_length_a                 4.6551(5)
_cell_length_b                 4.6551(5)
_cell_length_c                 7.5426(11)
_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,-x1-x2+x4+1/2,+1
3 -x2,x1,x3,-x2+x4+1/4,+1
4 x2,-x1,x3,-x1+x4+3/4,+1
5 -x1,x2,-x3,x2-x4,+1
6 x1,-x2,-x3,x1-x4+1/2,+1
7 x2,x1,-x3,x1+x2-x4+3/4,+1
8 -x2,-x1,-x3,-x4+1/4,+1

loop_
_space_group_symop_magn_ssg_centering.id
_space_group_symop_magn_ssg_centering.algebraic
1 x1,x2,x3,x4,+1
2 x1,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
Ce1 Ce 0 0 0 1
Rh1 Rh 0 0 0.5 1
In1 In 0.5 0.5 0 1
In2 In 0 0.5 0.3059(2) 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 0.75(2) 0 mxs1
Ce1 y 1 -0.75 0 -mxs1 0
Ce1 z 1 0 0 0 0


