#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 18/11/2020

data_5yOhtAoR
_audit_creation_date            2020-11-18
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        97
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            174416
_citation_year                  2018
_citation_DOI                   10.1103/PhysRevB.97.174416

loop_
_citation_author_name
"N. Metoki"
"H. Yamauchi"
"M. Matsuda"
"J.A. Fernandez-Baca"
"R. Watanuki"
"M. Hagihala"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               "J. Phys. Soc. Japan 86, 044705 (2017)"

_transition_temperature  17.2
_experiment_temperature  7.0

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3-  1  1  .  primary  1  .
mGM5-  2  2  special primary 1 .
mGM4-  1  1  .  secondary 1  no

_exptl_crystal_magnetic_properties_details
;
Polarized NSD
So-called phase II (between 17.2K and 7.0K). Below 7.0K coexistence with incommensurate phase.
Position structure from a determination at 30K in the paramagnetic phase, retrieved from a different publication.
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two 1-dim irreps as primary. Irrep mGM3- (MSG P4/m'bm dominant)
See #0.491 for a previous different model of the same phase proposed by the same authors from the analysis of NPD data. This structure is presented as a correction to this previous model.
;

_parent_space_group.name_H-M_alt  'P 4/m b m'
_parent_space_group.IT_number                       127
_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  'c,a,b;0,0,0'



_space_group_magn.number_BNS  14.77
_space_group_magn.name_BNS  "P 2_1'/c"
_cell_length_a             7.23460
_cell_length_b             7.23460
_cell_length_c             4.11010
_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+1/2,y+1/2,z,+1
3 x+1/2,-y+1/2,-z,-1
4 -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
Nd1 Nd 0.31800 0.81800 0.00000
B1 B 0.00000 0.00000 0.20710
B2 B 0.08810 0.58810 0.50000
B3_1 B 0.17280 0.03620 0.50000
B3_2 B  0.96380 0.17280 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
_atom_site_moment.magnitude
Nd1 1.3 -1.3 0.2 mx,my,mz  1.8(2)

