#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 22/02/2020

data_5yOhtAoR
_audit_creation_date            2020-02-22
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        12
_citation_page_first            1361
_citation_page_last             1376
_citation_article_id            ?
_citation_year                  2000
_citation_DOI                   10.1088/0953-8984/12/7/319

loop_
_citation_author_name
"A. Munoz"
"J.A. Alonso"
"M.J. Martinez-Lope"
"J.L. Garcia-Munoz"
"M.T. Fernandez-Diaz"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  78
_experiment_temperature  21

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+  1  1  .  primary  4  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a room temperature determination
Below 13K Nd also becomes magnetically ordered with no additional symmetry break, the MSG remaining the same (see #0.289)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible with non-zero magn. moment at Mn site)
1-dim irrep as primary
FM along b
;

_parent_space_group.name_H-M_alt  'P n m a'
_parent_space_group.IT_number                       62
_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  62.448
_space_group_magn.name_BNS  "P n' m a'"
_cell_length_a             5.71190
_cell_length_b             7.58900
_cell_length_c             5.41190
_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,y+1/2,-z,+1
3 -x,-y,-z,+1
4 x,-y+1/2,z,+1
5 x+1/2,-y+1/2,-z+1/2,-1
6 -x+1/2,-y,z+1/2,-1
7 -x+1/2,y+1/2,z+1/2,-1
8 x+1/2,y,-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 0.05970 0.25000 0.99090
Mn1 Mn 0.00000 0.00000 0.50000
O1 O 0.48370 0.25000 0.08170
O2 O 0.31060 0.04050 0.71080

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 0.00000 0,my,0
Mn1 2.8(3) -1.08(12) 0.00000 mx,my,mz

