#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 17/05/2020

data_5yOhtAoR
_audit_creation_date            2020-05-17
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        30
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            ?
_citation_year                  2018
_citation_DOI                   10.1088/1361-648X/aaaf3e

loop_
_citation_author_name
"J.-Q. Yan"
"M. Ochi"
"H.B. Cao"
"B. Saparov"
"J.-G. Cheng"
"Y. Uwatoko"
"R. Arita"
"B.C. Sales"
"D.G. Mandrus"



_atomic_positions_source_database_code_ICSD  4815
_atomic_positions_source_other               .

_transition_temperature  8
_experiment_temperature  5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM2+  3  1  .  primary  4  .

_exptl_crystal_magnetic_properties_details
;
NSD
Position structure from a determination at 173K
Above 8K and up to the T_N=44K another phase is reported with the same MSG, but with null moment for Nd2_2 (see #1.402).
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim small irrep. The irrep has 3 k-vectors in its star and the model involves only one.
Apparently alternative 2k and 3k models under the same irrep were not tested.
;

_parent_space_group.name_H-M_alt  'P 6_3/m c m'
_parent_space_group.IT_number                       193
_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  'b,c,a+b;0,0,0'



_space_group_magn.number_BNS  62.454
_space_group_magn.name_BNS  "P_B n m a"
_cell_length_a             18.45500
_cell_length_b             9.22750
_cell_length_c             6.74070
_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 -x+1/2,-2x+y,-z+1/2,+1
3 -x,-y,z+1/2,+1
4 x+1/2,2x-y,-z,+1
5 -x,-y,-z,+1
6 x+1/2,2x-y,z+1/2,+1
7 x,y,-z+1/2,+1
8 -x+1/2,-2x+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
Nd1 Nd 0.16667 0.66667 0.00000
Nd2_1 Nd 0.11565 0.00000 0.25000
Nd2_2 Nd  0.00000 0.23130 0.25000
Pb1_1 Pb 0.30107 0.00000 0.25000
Pb1_2 Pb  0.00000 0.60214 0.25000

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 0.00000 0.00000 3.2(1)   0,my,mz
Nd2_1 0.00000 0.00000 -1.1(1) 0,0,mz
Nd2_2 0.00000 0.00000 1.8(2) 0,0,mz

