#\#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        "Z. Phys. B. Condensed Matter"
_citation_journal_volume        77
_citation_page_first            185
_citation_page_last             191
_citation_article_id            ?
_citation_year                  1989
_citation_DOI                   10.1007/BF01313661

loop_
_citation_author_name
"P. Allenspach"
"S.W. Choeng"
"A. Dommann"
"P. Fischer"
"Z. Fisk"
"A. Furrer"
"H.R. Ott"
"B. Rupp"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  190-250
_experiment_temperature  20

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

_exptl_crystal_magnetic_properties_details
;
NSD and NPD
Cu moment modulus: 0.45(12)
Moment components given here with non-significant digits to yield the reported moment modulus
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (3 possible)
1-dim small irrep as primary. The irrep is restricted to one of the two k-vectors of its star.
This model is the same as the one proposed by Cox (#1.398). The only difference is the choice of the other domain-equivalent k-vector and the use of a different setting.
The reference only mentions this model, but probably an alternative 2k model orresponding to the same irrep would also fit the data (see #2.48).
;

_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]

_parent_space_group.child_transform_Pp_abc  '2a,2b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'c,1/2a+1/2b,-1/2a+1/2b;1/8,1/8,1/4'



_space_group_magn.number_BNS  66.500
_space_group_magn.name_BNS  "C_A c c m"
_cell_length_a             7.91340
_cell_length_b             7.91340
_cell_length_c             12.19930
_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 y+3/4,x+1/4,-z+1/2,+1
4 -y+1/4,-x+1/4,-z+1/2,+1
5 -x+1/4,-y+1/4,-z+1/2,+1
6 x+3/4,y+1/4,-z+1/2,+1
7 -y,-x+1/2,z,+1
8 y,x,z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/4,y+1/4,z+1/2,+1
3 x+1/2,y+1/2,z,+1
4 x+3/4,y+3/4,z+1/2,+1
5 x,y+1/2,z,-1
6 x+1/4,y+3/4,z+1/2,-1
7 x+1/2,y,z,-1
8 x+3/4,y+1/4,z+1/2,-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 0.35150
Cu1 Cu 0.00000 0.00000 0.00000
O1 O 0.00000 0.25000 0.00000
O2 O 0.00000 0.25000 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 -0.225 0.225 0.00000 mx,-mx,0

