#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 20/03/2018 01:30:09

data_5yOhtAoR
_audit_creation_date            2018-03-20
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        14
_citation_page_first            7191
_citation_page_last             7200
_citation_article_id            ?
_citation_year                  2002
_citation_DOI                   10.1088/0953-8984/14/30/309

loop_
_citation_author_name
"J.M. Cadogan"
"D.H. Ryan"
"Z. Altounian"
"H.B. Wang"
"I.P. Swainson"




_atomic_positions_source_database_code_ICSD  190404
_atomic_positions_source_other               .

_transition_temperature  66
_experiment_temperature  12

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3  1  1  .  primary  8  .

_exptl_crystal_magnetic_properties_details
;
NPD
Canted ferromagnet
;

_active_magnetic_irreps_details
;
k-maximal magnetic symmetry
The relative sign of the mx,my components of Nd1 are inconsistent with the reported irrep. This is corrected here, but this implies that the global direction of this spin, relative to those of Nd2 and Nd3 depends on the arbitrary choice made for this correction (my has been changed to negative)
;

_parent_space_group.name_H-M_alt  'P  4_1  2_1  2'
_parent_space_group.IT_number                       92
_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  92.114
_space_group_magn.name_BNS  "P4_12_1'2'"
_cell_length_a             7.87600
_cell_length_b             7.87600
_cell_length_c             14.80100
_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+1/2,x+1/2,z+1/4,+1
3 y+1/2,-x+1/2,z+3/4,+1
4 -x,-y,z+1/2,+1
5 x+1/2,-y+1/2,-z+3/4,-1
6 -x+1/2,y+1/2,-z+1/4,-1
7 y,x,-z,-1
8 -y,-x,-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
Nd1 Nd 0.19010 0.19010 0.00000
Nd2 Nd 0.01420 0.13260 0.61920
Nd3 Nd 0.98610 0.36670 0.20250
Si1 Si 0.05290 0.28100 0.80700
Si2 Si 0.28260 0.32700 0.69260

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 0.36(4) -0.36 2.34(6) mx,-mx,mz
Nd2 0.33(4) 0.43(4) 2.41(6) mx,my,mz
Nd3 1.38(4) 0.58(4) 2.35(6) mx,my,mz


