# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 15/02/2018 19:06:05
# icsd_99545_Pnma_par_modified.cif

data_5yOhtAoR
_audit_creation_date            2018-02-15
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        96
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            ?
_citation_year                  144407
_citation_DOI                   10.1103/PhysRevB.96.144407

loop_
_citation_author_name
"L.S. Wu"
"S.E. Nikitin"
"M. Frontzek"
"A.I. Kolesnikov"
"G. Ehlers"
"M.D. Lumsden"
"K.A. Shaykhutdinov"
"E.-J. Guo"
"A.T. Savici"
"Z. Gai"
"A.S. Sefat"
"A. Podlesnyak"




_atomic_positions_source_database_code_ICSD  99545
_atomic_positions_source_other               .

_transition_temperature  3.15
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1- 1  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim single irrep active
The parent structure has been transformed to the Pnma standard setting
Parent structure has been taken from icsd_99545 but lattice parameters have been changed to those reported in the reference (10K).
Magnetic symmetry allows linear magnetoelectric effect
;

_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  '"
_cell_length_a             5.66900
_cell_length_b             7.85150
_cell_length_c             5.41360
_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
Dy1 Dy 0.00000 0.25000 0.00000
Sc1 Sc 0.00000 0.00000 0.50000
O1 O 0.55500 0.25000 0.88040
O2 O 0.30400 0.93920 0.69260

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Dy1 8.36(2) 0.00000 4.44(3) mx,0,mz


