#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:19:43
# Database entry: 2.4 Eu(Fe0.82Co0.18)As2
# Cif-like file for the case 2.4


data_5yOhtAoR
_audit_creation_date            2017-11-19
_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                    'Eu (Fe0 .82Co0 .18)As2'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        88
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            214516
_citation_year                  2013
_citation_DOI                   10.1103/physrevb.88.214516

loop_
_citation_author_name
"W.T. Jin"
"S. Nandi"
"Y. Xiao"
"Y. Su"
"O. Zaharko"
"Z. Guguchia"
"Z. Bukowski"
"S. Price"
"W.H. Jiao"
"G.H. Cao"
"T. Bruckel"





_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     17
_experiment_temperature     4.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX2+(k1) 2 1 . primary 2 ?
mGM3+(k2) 1 1 . primary 2 ?

_exptl_crystal_magnetic_properties_details
;
Moments in the figures and vesta files are not in a linear scale. Fe spins are oversized respect to Eu ones.
NSD
A structural transition from tetragonal to Fmmm symmetry at Tc=90K is also reported, distinct from the magnetic one.
The two magnetic atoms order according to different k-vectors: Fe1 (k1) and Eu (k2) at different temperatures (70 and 17)
Positional structure refined under space group Fmmm.
From the magnetic symmetry, Cmmm is the actual effective space group for positions. This means a splitting of the As and Eu sites.
;

_active_magnetic_irreps_details
;
2k magnetic structure
wave vectors are given in the setting of the parent tetragonal phase.
Ferromagnetic
;

_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 [1/2 1/2 0]
k2 [0 0 0]

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


_space_group_magn.number_BNS  65.486
_space_group_magn.name_BNS  "C  m  m'  m'  "
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 5.543(4)
_cell_length_b                 5.543(4)
_cell_length_c                 11.98(2)
_cell_angle_alpha              90.0000
_cell_angle_beta               90.0000
_cell_angle_gamma              90.0000

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
5 x,-y,-z,-1
6 -x,y,-z,-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
2 x+1/2,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
Eu1_1 Eu2+ 0.00000 0.00000 0.00000 1.0000
Eu1_2 Eu2+ 0.00000 0.50000 0.50000 1.0000
Fe1_1 Fe2+ 0.25000 0.25000 0.25000 0.82
Co1_1 Co2+ 0.25000 0.25000 0.25000 0.18
As1_1 As 0.00000 0.00000 0.362(1) 1.0000
As1_2 As 0.00000 0.50000 0.862(1) 1.0000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Eu1_1 0.0 0.0 6.2(1) 0,0,mz
Eu1_2 0.0 0.0 6.2 0,0,mz
Fe1_1 -0.15(1) 0.0 0.0 mx,0,mz

