#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:49:42
# Database entry: 0.39 Nd2NaRuO6
# Cif-like file for the case 0.39


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                    'Nd2 Na Ru O6'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        88
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            014413
_citation_year                  2013
_citation_DOI                   10.1103/physrevb.88.014413

loop_
_citation_author_name
"A.A. Aczel"
"D.E. Bugaris"
"J. Yeon"
"C. de la Cruz"
"H.-C. zur Loye"
"S.E. Nagler"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     14.3
_experiment_temperature     4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1+ 1 1 . primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
parent space group in non-standard setting P12_1/n1
;

_active_magnetic_irreps_details
;
1k magnetic symmetry
k-maximal magnetic symmetry
;

_parent_space_group.name_H-M_alt  'P  2_1/n'
_parent_space_group.IT_number                       14
_parent_space_group.transform_Pp_abc  'a,b,a+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  'c,b,-a-c;0,0,0'


_space_group_magn.number_BNS  14.75
_space_group_magn.name_BNS  "P  2_1/c"
_space_group_magn.point_group_name  "2/m"
_space_group_magn.point_group_number  "5.1.12"
_cell_length_a                 5.4808
_cell_length_b                 5.9016
_cell_length_c                 7.8728
_cell_angle_alpha              90.0000
_cell_angle_beta               90.898
_cell_angle_gamma              90.0000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -x+1/2,y+1/2,-z+1/2,+1
3 -x,-y,-z,+1
4 x+1/2,-y+1/2,z+1/2,+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_1 Nd 0.48370 0.07500 0.25340 1
Na1_1 Na 0.00000 0.00000 0.00000 1
Ru1_1 Ru 0.50000 0.50000 0.00000 1
O1_1 O 0.20900 0.32800 0.05180 1
O2_1 O 0.61400 0.45120 0.22980 1
O3_1 O 0.33100 0.78100 0.06600 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_1 -1.05(4) -1.9(3) 0.56(5) mx,my,mz
Ru1_1 1.29(6) 0.0 1.0(1) mx,my,mz

