#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 17/03/2020


data_5yOhtAoR
_audit_creation_date            2020-03-17
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys. C: Solid State Phys."
_citation_journal_volume        14
_citation_page_first            1671
_citation_page_last             1683
_citation_article_id            ?
_citation_year                  1981
_citation_DOI                   10.1088/0022-3719/14/11/027

loop_
_citation_author_name
"C. Wilkinson"
"F. Sinclair"
"P. Gardner"
"J.B. Forsyth"
"B.M.R. Wanklyn"



_atomic_positions_source_database_code_ICSD  18308
_atomic_positions_source_other               .

_transition_temperature  8.4
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX2  2  2  special  primary  11  .

_exptl_crystal_magnetic_properties_details
;
NSD
Positional structure from a room temperature determination
See #1.76 for a different model of the same structure, having the same symmetry, but quite different magnetic moments.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
2-dim irrep along a special direction as primary
magnetic symmetry break into a polar group with polarity along b in the parent setting
magnetically induced ferroelectricity to be expected along b in the parent setting (multiferroic of type II)
;

_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"
_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
Dy1_1 Dy 0.06937 0.17169 0.00000
Dy1_2 Dy  0.93063 0.82831 0.00000
Mn1 Mn 0.00000 0.50000 0.25480
Mn2_1 Mn 0.20595 0.35000 0.50000
Mn2_2 Mn  0.79405 0.65000 0.50000
O1 O 0.00000 0.00000 0.27410
O2_1 O 0.08235 0.44520 0.00000
O2_2 O  0.91765 0.55480 0.00000
O3_1 O 0.07685 0.43540 0.50000
O3_2 O  0.92315 0.56460 0.50000
O4_1 O 0.19755 0.20820 0.24140
O4_2 O  0.80245 0.79180 0.24140

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 4.51(3) -8.02(1) 0.0 mx,my,0
Dy1_2 -4.51 8.02 0.0 mx,my,0
Mn1 -1.44(4) -1.35(1) 0.0 mx,my,mz
Mn2_1 2.10(4) 1.26(1) 0.0 mx,my,0
Mn2_2 2.10 1.26 0.0 mx,my,0

