#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:03:45
# Database entry: 0.167 Nd3Sb3Mg2O14
# Cif-like file for the case 0.167


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                    'Nd3 Sb3 Mg2 O1 4'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        93
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            180407(R)
_citation_year                  2016
_citation_DOI                   10.1103/PhysRevB.93.180407

loop_
_citation_author_name
"A. Scheie"
"M. Sanders"
"J. Krizan"
"Y. Qiu"
"R.J. Cava"
"C. Broholm"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               'PRL 116, 157201 (2016)'

_transition_temperature     0.56
_experiment_temperature     0.1

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
? ? ? ? ? ? ?

_exptl_crystal_magnetic_properties_details
;
NPD
Unit cell parameters from room temperature measurement
Atomic positions are not given in the reference. Here, we use as approximate values those of an isostructural compound , taken from ref. PRL 116,157201 (2016)
Spin modulus= 1.79(5). The parameterization in terms of components used here introduces round-up errors and the total modulus slightly deviates from this value.
;

_active_magnetic_irreps_details
;
k-maximal magnetic symmetry
1k-magnetic structure
1-dim irrep active: equivalent to the MSG assignment
FM along c allowed by the MSG and observed.
;

_parent_space_group.name_H-M_alt  'R  -3m'
_parent_space_group.IT_number                       166
_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  166.101
_space_group_magn.name_BNS  "R  -3m'  "
_space_group_magn.point_group_name  "-3m'"
_space_group_magn.point_group_number  "20.5.75"
_cell_length_a                 7.42200
_cell_length_b                 7.42200
_cell_length_c                 17.50200
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -y,x-y,z,+1
3 -x+y,-x,z,+1
4 -x,-y,-z,+1
5 y,-x+y,-z,+1
6 x-y,x,-z,+1
7 x-y,-y,-z,-1
8 y,x,-z,-1
9 -x,-x+y,-z,-1
10 -x+y,y,z,-1
11 -y,-x,z,-1
12 x,x-y,z,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/3,y+2/3,z+2/3,+1
3 x+2/3,y+1/3,z+1/3,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg1 Mg 0.00000 0.00000 0.50000 1
Mg2 Mg 0.00000 0.00000 0.00000 1
Nd1 Nd 0.50000 0.00000 0.00000 1
Sb1 Sb 0.50000 0.00000 0.50000 1
O1 O 0.00000 0.00000 0.60300 1
O2 O 0.53600 0.46400 0.38800 1
O3 O 0.47500 0.52500 0.85900 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
Nd1 0.88 1.76 -0.93 mx,2mx,mz

