#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/20/2017 13:33:34
# Database entry: 1.195 Er2Ni2In
# Cif-like file for the case 1.195


data_5yOhtAoR
_audit_creation_date            2017-11-20
_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                    'Er2 Ni2 In'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Journal of Alloys and Compounds"
_citation_journal_volume        696
_citation_page_first            1278
_citation_page_last             1281
_citation_article_id            .
_citation_year                  2017
_citation_DOI                   10.1016/j.jallcom.2016.12.072

loop_
_citation_author_name
"S. Baran"
"A. Szytula"
"A. Hoser"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     6
_experiment_temperature     1.6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mA1 2 2 special primary 3 .

_exptl_crystal_magnetic_properties_details
;
No magnetic ordering is detected at Ni sites
;

_active_magnetic_irreps_details
;
k-maximal magnetic symmetry
single irrep active
In the original reference a wrong polar magnetic space group of lower symmetry is atributed to the reported spin arrangement
An analogous spin arrangement is reported in the same reference for Tm2Ni2In with the same wrong magnetic symmetry assignment. The correct magnetic space group is the one given here.
;

_parent_space_group.name_H-M_alt  'C  m  m  m'
_parent_space_group.IT_number                       65
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 0 1/2]

_parent_space_group.child_transform_Pp_abc  '2a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '-c,-a,b;3/8,3/4,0'


_space_group_magn.number_BNS  63.467
_space_group_magn.name_BNS  "C_a  m  c  m"
_space_group_magn.point_group_name  "mmm1'"
_space_group_magn.point_group_number  "8.2.25"
_cell_length_a                 7.70600
_cell_length_b                 13.97000
_cell_length_c                 7.21200
_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+3/4,-y+1/2,z,+1
3 x,-y,-z,+1
4 -x+3/4,y+1/2,-z,+1
5 -x+3/4,-y+1/2,-z,+1
6 x,y,-z,+1
7 -x+3/4,y+1/2,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
2 x+1/2,y,z+1/2,+1
3 x,y,z+1/2,-1
4 x+1/2,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 Er 0.00000 0.36400 0.25000 1
Ni1 Ni 0.00000 0.19800 0.00000 1
In1 In 0.00000 0.00000 0.00000 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
Er1 0.0 7.71(7) 0.0 mx,my,0
Ni1 0.0 0.0 0.0 0,0,mz

