#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:10:52
# Database entry: 1.76 DyMn2O5
# Cif-like file for the case 1.76


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                    'Dy Mn2 O5'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        71
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            214402
_citation_year                  2005
_citation_DOI                   10.1103/physrevb.71.214402

loop_
_citation_author_name
"G.R. Blake"
"L.C. Chapon"
"P.G. Radaelli"
"S. Park"
"N. Hur"
"S.-W. Cheong"
"J. Rodriguez-Carvajal"



_atomic_positions_source_database_code_ICSD   18308
_atomic_positions_source_other               .

_transition_temperature     40
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX2 2 2 special primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
modulus moment Mn1: 1.27(15)
modulus moment Mn2_1 and Mn2_2: 1.7(4)
symmetry break into polar symmetry along y
multiferroic
magnetically induced ferroelectric polarization along y
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
2-dim active irrep
;

_parent_space_group.name_H-M_alt  'P  b  a  m'
_parent_space_group.IT_number                       55
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 0 0]

_parent_space_group.child_transform_Pp_abc  '2a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,c,-b;7/8,0,0'


_space_group_magn.number_BNS  29.104
_space_group_magn.name_BNS  "P_a  c  a  2_1"
_space_group_magn.point_group_name  "mm21'"
_space_group_magn.point_group_number  "7.2.21"
_cell_length_a                 14.58800
_cell_length_b                 8.55510
_cell_length_c                 5.68750
_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+3/4,y+1/2,-z,+1
3 -x+1/4,y+1/2,z,+1
4 x+1/2,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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Dy1_1 Dy 0.06937 0.17169 0.00000 1
Dy1_2 Dy 0.43063 0.82831 0.00000 1
Mn1 Mn 0.00000 0.50000 0.25480 1
Mn2_1 Mn 0.20595 0.35000 0.50000 1
Mn2_2 Mn 0.29405 0.65000 0.50000 1
O1 O 0.00000 0.00000 0.27410 1
O2_1 O 0.08235 0.44520 0.00000 1
O2_2 O 0.91765 0.55480 0.00000 1
O3_1 O 0.07685 0.43540 0.50000 1
O3_2 O 0.92315 0.56460 0.50000 1
O4_1 O 0.19755 0.20820 0.24140 1
O4_2 O 0.80245 0.79180 0.24140 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
Dy1_1 0.0 -5.68(13) 0.0 mx,my,0
Dy1_2 0.0 -5.68 0.0 mx,my,0
Mn1 0.62 -1.11 0.0 mx,my,mz
Mn2_1 -0.75 1.53 0.0 mx,my,0
Mn2_2 0.75 -1.53 0.0 mx,my,0

