#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/14/2023

data_5yOhtAoR
_audit_creation_date            2023-02-14
_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                    "Ce1 Rh1 Ge3"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        85
_citation_page_first            .
_citation_page_last             .
_citation_article_id            134405
_citation_year                  2012
_citation_DOI                   10.1103/PhysRevB.85.134405

loop_
_citation_author_name
"A. D. Hillier"
"D. T. Adroja"
"P. Manuel"
"V. K. Anand"
"J. W. Taylor"
"K. A. McEwen"
"B. D. Rainford"
"M. M. Koza"

_temperature_position_structure         293
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     7
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mLD4LE4(k1) 2 1 general primary 2 .
mLD4LE4(3k1) 2 1 general secondary 2 No

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at room temperature
The model is a sinusoidal spin wave, and the data cannot determine its initial phase. As the parent space group is polar along the propagation vector, the MSG does not depend on this phase. Any model under this MSG where the four symmetry independent Ce1_i sites have mz values 0.45*Cos[(3pi/4)(i-1)+Phi], with any phase Phi, would equally fit the data. Here the structure is depicted for Phi=0.
A secondary third harmonic with 3k1=(0,0,1/4) is symmetry allowed, but not present. This third harmonic would be required for a model with equal moment magnitudes.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim physically irrep as primary
2-dim physically irrep allowed as secondary
;

_parent_space_group.name_H-M_alt  'I 4 m m'
_parent_space_group.IT_number                       107
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 3/4]

_parent_space_group.child_transform_Pp_abc  'a,b,4c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'


_space_group_magn.number_BNS  103.200
_space_group_magn.name_BNS  "P_c 4 c c"
_space_group_magn.point_group_name  "4mm1'"
_space_group_magn.point_group_number  "13.2.45"
_cell_length_a                 4.39600
_cell_length_b                 4.39600
_cell_length_c                 40.08970
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              90.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -y,x,z,+1 
3 y,-x,z,+1 
4 -x,-y,z,+1 
5 -x,y,z+1/2,+1 
6 x,-y,z+1/2,+1 
7 -y,-x,z+1/2,+1 
8 y,x,z+1/2,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x,y,z+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_1 Ce 0.00000 0.00000 0.14502 1
Ce1_2 Ce 0.50000 0.50000 0.27002 1
Ce1_3 Ce 0.00000 0.00000 0.39502 1
Ce1_4 Ce 0.50000 0.50000 0.52002 1
Rh1_1 Rh 0.00000 0.00000 0.05962 1
Rh1_2 Rh 0.50000 0.50000 0.18462 1
Rh1_3 Rh 0.00000 0.00000 0.30962 1
Rh1_4 Rh 0.50000 0.50000 0.43462 1
Ge1_1 Ge 0.00000 0.00000 0.00000 1
Ge1_2 Ge 0.50000 0.50000 0.12500 1
Ge1_3 Ge 0.00000 0.00000 0.25000 1
Ge1_4 Ge 0.50000 0.50000 0.37500 1
Ge2_1 Ge 0.00000 0.50000 0.08530 1
Ge2_2 Ge 0.50000 0.00000 0.21030 1
Ge2_3 Ge 0.00000 0.50000 0.33530 1
Ge2_4 Ge 0.50000 0.00000 0.46030 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
Ce1_1 0.0 0.0 0.45(9) 0,0,mz 0.45(9) ? ?
Ce1_2 0.0 0.0 -0.3182 0,0,mz 0.3182 ? ?
Ce1_3 0.0 0.0 0.0 0,0,mz 0.0 ? ?
Ce1_4 0.0 0.0 0.3182 0,0,mz 0.3182 ? ?

