#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:01:58
# Database entry: 0.147 EuZrO3
# Cif-like file for the case 0.147


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 Zr O3'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        93
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            014409
_citation_year                  2016
_citation_DOI                   10.1103/PhysRevB.93.014409

loop_
_citation_author_name
"R. Saha"
"A. Sundaresan"
"M.K. Sanyal"
"C.N.R. Rao"
"F. Orlandi"
"P. Manuel"
"S. Langridge"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     4.4
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
? ? ? ? ? ? ?

_exptl_crystal_magnetic_properties_details
;
NPD
atomic positional structure from an experiment at 10K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep active: constraints equivalent to the MSG assignment
linear magnetoelectric effect is symmetry allowed (non-zero coefficients alpha_11, alpha_22, alpha_33).
see entry #0.146 for an alternative model with the spins aligned along a, which would dictate a  linear magnetoelectric response of different type.
;

_parent_space_group.name_H-M_alt  'P  n  m  a'
_parent_space_group.IT_number                       62
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

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


_space_group_magn.number_BNS  62.449
_space_group_magn.name_BNS  "P  n'  m'  a'  "
_space_group_magn.point_group_name  "m'm'm'"
_space_group_magn.point_group_number  "8.5.28"
_cell_length_a                 5.8172(2)
_cell_length_b                 8.1805(2)
_cell_length_c                 5.7833(2)
_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+1/2,-y+1/2,-z+1/2,+1
3 -x,y+1/2,-z,+1
4 -x+1/2,-y,z+1/2,+1
5 -x,-y,-z,-1
6 -x+1/2,y+1/2,z+1/2,-1
7 x,-y+1/2,z,-1
8 x+1/2,y,-z+1/2,-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
Eu1 Eu 0.0237(11) 0.25000 0.4853(15) 1
Zr1 Zr 0.00000 0.00000 0.00000 1
O1 O 0.2784(9) 0.0427(6) 0.2123(9) 1
O2 O 0.4807(16) 0.25 0.5702(16) 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 0.0 0.0 6.40(2) mx,0,mz

