#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/28/2022

data_5yOhtAoR
_audit_creation_date            2022-10-28
_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                    "Gd1 Mn2 Si2"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Journal of Alloys and Compounds"
_citation_journal_volume        818
_citation_page_first            .
_citation_page_last             .
_citation_article_id            152902
_citation_year                  2020
_citation_DOI                   10.1016/j.jallcom.2019.152902

loop_
_citation_author_name
"E. G. Gerasimov"
"P. B. Terentev"
"A. F. Gubkin"
"H. E. Fischer"
"D. I. Gorbunov"
"N. V. Mushnikov"

_temperature_position_structure         293
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  89556
_atomic_positions_source_other               .

_transition_temperature     52
_experiment_temperature     10

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM1- 1  1  .  primary 1 .
mGM5+ 2  2  special primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure was not found in the paper. Here it is used one determined at room temperature by another study and retrieved from the ICSD
Between 52K and 453 a phase with only Mn moments ordered exists (see #2.96)
;

_active_magnetic_irreps_details
;
2k magnetic structure
k-maximal symmetry
Two irreps involved as primary ones, i.e. two order parameters in the sense of Landau theory are therefore present
The mx component of both Gd and Mn moments follow the mGM5+ irrep, while the Mn mz component transforms according to mM1-
The relative sign of the Mn mz component with respect to the arrangement along x is irrelevant, as the two possibilities correspond to equivalent domain-related descriptions.
;

_parent_space_group.name_H-M_alt  'I 4/m m m'
_parent_space_group.IT_number                       139
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1 1 1]
k2 [0 0 0]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'b,c,a;1/4,1/4,1/4'

_space_group_magn.number_BNS  59.409
_space_group_magn.name_BNS  "P m' m' n"
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 3.95400
_cell_length_b                 3.95400
_cell_length_c                 10.48900
_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 x,-y,-z,+1 
3 -x+1/2,-y+1/2,-z+1/2,+1 
4 -x+1/2,y+1/2,z+1/2,+1 
5 -x+1/2,y+1/2,-z+1/2,-1 
6 -x+1/2,-y+1/2,z+1/2,-1 
7 x,-y,z,-1 
8 x,y,-z,-1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Gd1 Gd 0.00000 0.00000 0.00000 1
Mn1 Mn 0.00000 0.50000 0.25000 1
Si1 Si 0.00000 0.00000 0.38320 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
Gd1 -6.7(2) 0.0 0.0 mx,0,0 6.7(2) ? ?
Mn1 1.0(1) 0.0 1.9(2) mx,0,mz 2.2(2) ? ?

