#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 07/21/2022
# from a file submitted by Aleksandra Deptuch

data_5yOhtAoR
_audit_creation_date            2022-07-21
_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                    "Er5 Pd2 In4"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "J. Alloys Compd."
_citation_journal_volume        877
_citation_page_first            .
_citation_page_last             .
_citation_article_id            160171
_citation_year                  2021
_citation_DOI                   10.1016/j.jallcom.2021.160171

loop_
_citation_author_name
"S. Baran"
"A. Deptuch"
"M. Reehuis"
"Yu. Tyvanchuk"
"F. Yokaichiya"
"A. Szytula"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     16
_experiment_temperature     1.4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3+ 1 1 . primary 6 .
mGM4+ 1 1 . primary 6 .

_exptl_crystal_magnetic_properties_details
;
NPD. Ferrimagnetic 
FM on the plane ab
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two irreps involved as primary
One irrep [mGM3+] for the sites Er1 and Er3, which order at 16K, and the other irrep [mGM4+] for the site Er2, which orders at a lower unspecified temperature.
;

_parent_space_group.name_H-M_alt  "P b a m"
_parent_space_group.IT_number                       55
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k [0 0 0]

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

_space_group_magn.number_BNS  10.46
_space_group_magn.name_BNS  "P 2'/m'"
_space_group_magn.point_group_name  "2'/m'"
_space_group_magn.point_group_number  "5.5.16"
_cell_length_a                 17.9388
_cell_length_b                 7.9185
_cell_length_c                 3.57256
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              90.00000

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,-y,z,-1 
4 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
Er1_1 Er 0.00000 0.00000 0.00000 1
Er1_2 Er 0.50000 0.50000 0.00000 1
Er2_1 Er 0.22312 0.24211 0.00000 1
Er2_2 Er 0.72312 0.25789 0.00000 1
Er3_1 Er 0.42454 0.11952 0.00000 1
Er3_2 Er -0.07546 0.38048 0.00000 1
Pd1_1 Pd 0.30090 0.05044 0.50000 1
Pd1_2 Pd 0.80090 0.44956 0.50000 1
In1_1 In 0.56898 0.18535 0.50000 1
In1_2 In 0.06898 0.31465 0.50000 1
In2_1 In 0.85319 0.06747 0.50000 1
In2_2 In 0.35319 0.43253 0.50000 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
Er1_1 -3.9(4) 6.9(3) 0.0 mx,my,0 7.9(5) ? ?
Er1_2 -3.9(4) -6.9(3) 0.0 mx,my,0 7.9(5) ? ?
Er2_1 0.0 2.7(3) 0.0 mx,my,0 2.7(3) ? ?
Er2_2 0.0 2.7(3) 0.0 mx,my,0 2.7(3) ? ?
Er3_1 0.0 -6.0(2) 0.0 mx,my,0 6.0(2) ? ?
Er3_2 0.0 6.0(2) 0.0 mx,my,0 6.0(2) ? ?

