#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 15/05/2020

data_5yOhtAoR
_audit_creation_date            2020-05-15
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Physical Review B"
_citation_journal_volume        40
_citation_page_first            6998
_citation_page_last             7004
_citation_article_id            ?
_citation_year                  1989
_citation_DOI                   10.1103/PhysRevB.40.6998

loop_
_citation_author_name
"D.E. Cox"
"A.I. Goldman"
"M.A. Subramanian"
"J. Gopalakrishnan"
"A.W. Sleight"




_atomic_positions_source_database_code_ICSD  65925
_atomic_positions_source_other               .

_transition_temperature  270
_experiment_temperature  15

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX4+  2  1  special-2  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NSD
Cu moment modulus: 0.48
;

_active_magnetic_irreps_details
;
2k magnetic structure
k-maximal symmetry
The MSG of the structure is corrected here. It is a type IV MSG with gray point group.
2-dim irrep along a special direction as primary. It involves the two symmetry related k-vectors of the irrep with equal weights.
This is one of two possible models that equally fit the data. The second one is a 1k collinear model corresponding to the same irrep as primary, but involving a single k-vector of the irrep (see #1.398).
;

_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 1/2 0]
k2 [1/2 -1/2 0]

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



_space_group_magn.number_BNS  134.481
_space_group_magn.name_BNS  "P_C 4_2/n n m"
_cell_length_a             5.59320
_cell_length_b             5.59320
_cell_length_c             12.17720
_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,z+1/2,+1
3 y,-x+1/2,z+1/2,+1
4 x,-y+1/2,-z+1/2,+1
5 -x+1/2,y,-z+1/2,+1
6 -x+1/2,-y+1/2,z,+1
7 y,x,-z,+1
8 -y+1/2,-x+1/2,-z,+1
9 -x,-y,-z,+1
10 y+1/2,-x,-z+1/2,+1
11 -y,x+1/2,-z+1/2,+1
12 -x,y+1/2,z+1/2,+1
13 x+1/2,-y,z+1/2,+1
14 x+1/2,y+1/2,-z,+1
15 -y,-x,z,+1
16 y+1/2,x+1/2,z,+1

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pr1 Pr 0.00000 0.00000 0.35170
Cu1 Cu 0.00000 0.00000 0.00000
O1_1 O 0.25000 0.25000 0.00000
O1_2 O 0.25000 0.75000 0.00000
O2_1 O 0.25000 0.25000 0.25000
O2_2 O 0.25000 0.75000 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
Cu1 0.34 0.34 0.0 mx,mx,0

