#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 19/10/2019 


data_5yOhtAoR
_audit_creation_date            2019-10-19
_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            094429
_citation_year                  2019
_citation_DOI                   10.1103/PhysRevB.99.094429

loop_
_citation_author_name
"J. Sheng"
"X. Tong"
"F. Ye"
"J. A. Fernandez-Baca"
"H. Cao"
"N. Poudel"
"M. Gooch"
"B. Lorenz"
"C.W. Chu"
"X. Wang"
"S.-W. Cheong"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  33
_experiment_temperature  20

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
Above 33K and up to about 40K an incommensurate phase exists (see #1.1.62 and #1.1.63).
Lattice parameters are absent in the article; those of a room temperature model (icsd #97046) are used here.
Only magnetic atoms are reported.
Similar model as the one proposed in PRL 110, 137203 (2013) (see #1.54) but with very different magnetic moment values, despite being for the same temperature.
See entry #1.299 for the structure in the same phase at 5K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
2-dim irrep along a special direction
Multiferroic with electric polarization along b (in parent setting)
;

_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             14.70620
_cell_length_b             8.53710
_cell_length_c             5.68070
_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
Gd1_1 Gd 0.0694 0.1709 0.00000
Gd1_2 Gd  0.3194 0.3291 0.00000
Mn1 Mn 0.00000 0.50000 0.2558
Mn2_1 Mn 0.20575 0.3523 0.50000
Mn2_2 Mn  0.29425 0.6477 0.50000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Gd1_1 3.67(20) 0.02(1) 0.00000 mx,my,0
Gd1_2 -3.02(18) 1.70(30) 0.00000 mx,my,0
Mn1 -1.72(11) 0.82(17) -0.91(33) mx,my,mz
Mn2_1 2.88(23) -0.18(30) 0.00000 mx,my,0
Mn2_2 -2.71(24) 1.22(25) 0.00000 mx,my,0


