#Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/08/2018 11:37:41
# Database entry: 2.1 EuFe2As2
# Cif-like file for the case 2.1


data_5yOhtAoR
_audit_creation_date            2018-06-08
_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 Fe2 As2'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        80
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            174424
_citation_year                  2009
_citation_DOI                   10.1103/physrevb.80.174424

loop_
_citation_author_name
"Y. Xiao"
"Y. Su"
"M. Meven"
"R. Mittal"
"C.M.N. Kumar"
"T. Chatterji"
"S. Price"
"J. Persson"
"N. Kumar"
"S.K. Dhar"
"A. Thamizhavel"
"T. Brueckel"





_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               "."

_transition_temperature     19
_experiment_temperature     2.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX2+ 2 1 . primary ? ?
mM5+ 2 1 . primary ? ?

_exptl_crystal_magnetic_properties_details
;
NSD
The two magnetic atoms ardor according to different k-vectors: Fe1 (k1) and Eu (k2) and at different temperatures (190 and 19)
;

_active_magnetic_irreps_details
;
2k magnetic structure
the wave vectors are given in the setting of the parent tetragonal phase, while in the reference they are described in the Fmmm setting.
;

_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 1]

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


_space_group_magn.number_BNS  61.439
_space_group_magn.name_BNS  "P_C  b  c  a"
_space_group_magn.point_group_name  "mmm1'"
_space_group_magn.point_group_number  "8.2.25"
_cell_length_a                 5.537
_cell_length_b                 5.505
_cell_length_c                 12.057
_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+1/2,-z+1/2,+1
3 -x+1/2,-y,z+1/2,+1
4 x+1/2,-y+1/2,-z,+1
5 -x,-y,-z,+1
6 x,-y+1/2,z+1/2,+1
7 x+1/2,y,-z+1/2,+1
8 -x+1/2,y+1/2,z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x,y+1/2,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 Eu 0.00000 0.00000 0.00000 1
Fe1 Fe 0.25000 0.25000 0.25000 1
As1 As 0.00000 0.00000 0.363 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
Eu1 6.8(3) 0.0 0.0 mx,0,mz
Fe1 -0.98(8) 0.0 0.0 mx,my,0

