#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 17/04/2020


data_5yOhtAoR
_audit_creation_date            2020-04-17
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Chem. Phys"
_citation_journal_volume        89
_citation_page_first            3295
_citation_page_last             3299
_citation_article_id            ?
_citation_year                  1988
_citation_DOI                   10.1063/1.454935

loop_
_citation_author_name
"M. Wulff"
"G.H. Lander"



_atomic_positions_source_database_code_ICSD  71022
_atomic_positions_source_other               .

_transition_temperature  19
_experiment_temperature  10

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mL2+  3  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 27K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim small irrep as primary
;

_parent_space_group.name_H-M_alt  'P -3 m 1'
_parent_space_group.IT_number                       164
_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  'a+b+c,b,c;0,0,0'



_space_group_magn.number_BNS  15.90
_space_group_magn.name_BNS  "C_c 2/c"
_cell_length_a             7.67600
_cell_length_b             3.83800
_cell_length_c             11.83600
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -x,-2x+y,-z+1/2,+1
3 -x,-y,-z,+1
4 x,2x-y,z+1/2,+1

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pu1 Pu 0.16667 0.66667 0.12040
O1 O 0.00000 0.00000 0.00000
O2 O 0.16667 0.66667 0.32255

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Pu1 0.0 0.0 0.60(2) 2my,my,mz

