#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/25/2021

data_5yOhtAoR
_audit_creation_date            2021-01-25
_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                    "Nd Cr Ti O5"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "J. Phys. Chem. Solids"
_citation_journal_volume        31
_citation_page_first            1171
_citation_page_last             1183
_citation_article_id            .
_citation_year                  1970
_citation_DOI                   10.1016/0022-3697(70)90326-4

loop_
_citation_author_name
"G. Buisson"




_atomic_positions_source_database_code_ICSD   22318
_atomic_positions_source_other               .

_transition_temperature     21
_experiment_temperature     4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2- 1 1 . primary 5  .

_exptl_crystal_magnetic_properties_details
;
NPD
magnitude Cr moments: 2.95(15), magnitude Nd moment: 2.89(15)
5% occupation mixing of Cr and Ti sites.
Cr at both sites are given the same moment magnitude.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary: equivalent to MSG assignment
Magnetoelectric (ME)
Multiferroic properties have been claimed (see J. Magn. Magn. Mat. 36 (2014) 34Ð37), but they can be explained by ME domain switching properties.
;

_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 [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  55.356
_space_group_magn.name_BNS  "P b a m'"
_space_group_magn.point_group_name  "m'mm"
_space_group_magn.point_group_number  "8.3.26"
_cell_length_a                 7.56000
_cell_length_b                 8.67000
_cell_length_c                 5.80000
_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,-y,z,+1
3 -x+1/2,y+1/2,z,+1
4 x+1/2,-y+1/2,z,+1
5 x+1/2,-y+1/2,-z,-1
6 -x+1/2,y+1/2,-z,-1
7 -x,-y,-z,-1
8 x,y,-z,-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
Nd1 Nd 0.14200 0.17200 0.00000 1.
Ti1 Ti 0.12400 0.86600 0.50000 0.95
Cr2 Cr 0.12400 0.86600 0.50000 0.05
Cr1 Cr 0.00000 0.50000 0.25200 0.95
Ti2 Ti 0.00000 0.50000 0.25200 0.05
O1 O 0.11100 0.71500 0.26000 1.
O2 O 0.18600 0.43300 0.00000 1.
O3 O 0.15600 0.44400 0.50000 1.
O4 O 0.00000 0.00000 0.30000 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
_atom_site_moment.magnitude
Nd1 -0.6 2.83 0.0 mx,my,0      2.89(15)
Cr2 0.0 2.95 0.0 mx,my,0       2.95
Cr1 0.0 0.0 2.95(15) 0,0,mz    2.95(15)

