#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/10/2019 

data_5yOhtAoR
_audit_creation_date            2019-10-06
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        55
_citation_page_first            6584
_citation_page_last             6598
_citation_article_id            ?
_citation_year                  1997
_citation_DOI                   10.1103/PhysRevB.55.6584

loop_
_citation_author_name
"J. W. Lynn"
"S. Skanthakumar"
"Q. Huang"
"S. K. Sinha"
"Z. Hossain"
"L. C. Gupta"
"R. Nagarajan"
"C. Godart"

_atomic_positions_source_database_code_ICSD  56647
_atomic_positions_source_other               .

_transition_temperature  4.87(7)
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mN2+  4  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a room temperature model
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (2 possible)
One single 1-dim small irrep as primary irrep
A z canting of the moments is symmetry allowed, keeps the collinearity, and also belongs to the primary irrep.
;

_parent_space_group.name_H-M_alt  'I 4/m m m'
_parent_space_group.IT_number                       139
_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 1/2]

_parent_space_group.child_transform_Pp_abc  '2a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/2a-1/2c,b,a;0,0,0'



_space_group_magn.number_BNS  15.90
_space_group_magn.name_BNS  "C_c 2/c"
_cell_length_a             7.35600
_cell_length_b             3.67800
_cell_length_c             20.16280
_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,-z,+1 
3 -x,-y,-z,+1 
4 x+1/2,-y,z,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x+1/4,y+1/2,z+3/4,+1 
3 x+1/2,y,z+1/2,+1 
4 x+3/4,y+1/2,z+1/4,+1 
5 x+1/2,y,z,-1 
6 x+3/4,y+1/2,z+3/4,-1 
7 x,y,z+1/2,-1 
8 x+1/4,y+1/2,z+1/4,-1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Nd1 Nd 0.00000 0.00000 0.00000
Ni1 Ni 0.00000 0.50000 0.12500
B1 B 0.00000 0.00000 0.17635
C1 C 0.00000 0.00000 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 2.10(7) 0.00000 0.00000 mx,0,mz


