#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/08/2020

data_5yOhtAoR
_audit_creation_date            2020-08-06
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "phys. stat. sol."
_citation_journal_volume        13
_citation_page_first            K79
_citation_page_last             K81
_citation_article_id            ?
_citation_year                  ?
_citation_DOI                   10.1002/pssa.2210130155

loop_
_citation_author_name
"J. Leciejewicz"
"A. Misiuk"



_atomic_positions_source_database_code_ICSD  648651
_atomic_positions_source_other               .

_transition_temperature  32
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX3+  3  1  .  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a room temperature measurement
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (3 possible)
The active irrep has 3 k-vectors. Possible alternative multi-k models with the same irrep (see for instance #3.8) were not considered.
1-dim small small irrep as primary (1 single k of the irrep star involved)
;

_parent_space_group.name_H-M_alt  'P m -3 m'
_parent_space_group.IT_number                       221
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 1/2]

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



_space_group_magn.number_BNS  124.360
_space_group_magn.name_BNS  "P_c 4/m c c"
_cell_length_a             4.793
_cell_length_b             4.793
_cell_length_c             9.586
_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+1/2,+1
5 -x,y,-z+1/2,+1
6 -x,-y,z,+1
7 y,x,-z+1/2,+1
8 -y,-x,-z+1/2,+1
9 -x,-y,-z,+1
10 y,-x,-z,+1
11 -y,x,-z,+1
12 -x,y,z+1/2,+1
13 x,-y,z+1/2,+1
14 x,y,-z,+1
15 -y,-x,z+1/2,+1
16 y,x,z+1/2,+1

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb1_1 Pb 0.00000 0.50000 0.25000
Pb1_2 Pb  0.50000 0.50000 0.00000
U1 U 0.00000 0.00000 0.00000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
U1 0.00000 0.00000 1.7(1) 0,0,mz

