#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 17/11/2020

data_5yOhtAoR
_audit_creation_date            2020-11-17
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of the Physical Society of Japan"
_citation_journal_volume        86
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            044705
_citation_year                  2017
_citation_DOI                   10.7566/JPSJ.86.044705

loop_
_citation_author_name
"H. Yamauchi"
"N. Metoki"
"R. Watanuki"
"K. Suzuki"
"H. Fukazawa"
"S. Chi"
"J.A. Fernandez-Baca"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  17.2K
_experiment_temperature  7.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3-  1  1  .  primary  1  .
mGM1-  1  1  .  primary  1  .


_exptl_crystal_magnetic_properties_details
;
NPD
So-called phase II (between 17.2K and 7.0K)
Position structure from a determination at 30K in the paramagnetic phase
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two 1-dim irreps as primary. irrep mGM3- (MSG P4/m'bm dominant)
The two configurations with the irrep basis modes added or substracted, which in the original article are considered different models equally fitting the data, are in fact equivalent structures, representing domain-related spin arrangements.
;

_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  'a,b,c;0,0,0'



_space_group_magn.number_BNS  83.46
_space_group_magn.name_BNS  "P 4/m'"
_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 -y,x,z,+1
3 y,-x,z,+1
4 -x,-y,z,+1
5 -x,-y,-z,-1
6 y,-x,-z,-1
7 -y,x,-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
Nd1 Nd 0.31800 0.81800 0.00000
B1_1 B 0.00000 0.00000 0.20710
B1_2 B  0.50000 0.50000 0.79290
B2 B 0.08810 0.58810 0.50000
B3_1 B 0.17280 0.03620 0.50000
B3_2 B  0.32720 0.53620 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 0.99 -1.85 0.0 mx,my,0  2.1(2)

