#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/12/2020

data_5yOhtAoR
_audit_creation_date            2020-12-06
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        99
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            140402(R)
_citation_year                  2019
_citation_DOI                   10.1103/PhysRevB.99.140402

loop_
_citation_author_name
"W.T. Jin"
"M. Meven"
"A.P. Sazonov"
"S. Demirdis"
"Y. Su"
"Y. Xiao"
"Z. Bukowski"
"S. Nandi"
"T. Bruckel"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  ?
_experiment_temperature  11

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY2+  1  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
Polarized and unpolarized NSD
Fe becomes magnetically ordered below 192(2)K as an incommensurate magnetic modulated structure, with the paramagnetic structure above this temperature having I4/mmm as space group. The article however reports this commensurate structure at 11K without specifying an additional transition temperature.
Below 10K Eu becomes also magnetically ordered and the resulting structure refined at 2.5K is also reported. The graphical representation in the article of this additional structure is however inconsistent with the mixed occupation of the Eu/Ca sites in the same publication. This second structure has not been included in this database.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary
;

_parent_space_group.name_H-M_alt  'F  m  m  m'
_parent_space_group.IT_number                       69
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

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



_space_group_magn.number_BNS  64.480
_space_group_magn.name_BNS  "C_A m c a"
_cell_length_a             5.52400
_cell_length_b             5.52100
_cell_length_c             11.94000
_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,-y+1/2,-z+1/2,+1
4 -x,y+1/2,-z+1/2,+1
5 -x,-y,-z,+1
6 x,y,-z,+1
7 -x,y+1/2,z+1/2,+1
8 x,-y+1/2,z+1/2,+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+1/2,z+1/2,-1
4 x+1/2,y+1/2,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
Eu1 Eu 0.00000 0.00000 0.00000 0.48
Ca1 Ca 0.00000 0.00000 0.00000 0.52
Fe1 Fe 0.75000 0.25000 0.25000 1.
As1 As 0.00000 0.00000 0.36460 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
Eu1 0.00000 0.00000 0.00000 0,0,mz  0.0
Fe1 1.10(5) 0.00000 0.00000 mx,0,0  1.10(5)


