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

data_5yOhtAoR
_audit_creation_date            2018-10-17
_audit_creation_method          "Bilbao Crystallographic Server"

data_5yOhtAoR
_audit_creation_date            2018-10-16
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys. Chem. Solids"
_citation_journal_volume        54
_citation_page_first            469
_citation_page_last             475
_citation_article_id            ?
_citation_year                  1993
_citation_DOI                   10.1016/0022-3697(93)90330-T

loop_
_citation_author_name
"R. Morrow"
"R. Mishra"
"O.D. Restrepo"
"M.R. Ball"
"W. Windl"
"S. Wurmehl"
"U. Stockert"
"B. Buchner"
"P.M. Woodward"





_atomic_positions_source_database_code_ICSD  73650
_atomic_positions_source_other               .

_transition_temperature  19
_experiment_temperature  1.6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mLD4 2  1  special  primary  2  .
mM3+ 1  1    .      primary  1  .
mGM3+ 1  1   .      secondary 2  no

_exptl_crystal_magnetic_properties_details
;
NPD
Co and Pr orderings take place at different temperatures (304K and 19K, respectively)
;

_active_magnetic_irreps_details
;
2k magnetic structure
2k-maximal symmetry
Co ordering (irrep mM3+), Pr ordering (irrep mLD4)
According to magnetic symmetry weak FM (secondary irrep mGM3+) is expected
;

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

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



_space_group_magn.number_BNS  123.345
_space_group_magn.name_BNS  "P 4/m m' m'"
_cell_length_a             3.90100
_cell_length_b             3.90100
_cell_length_c             19.37200
_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
5 -x,-y,-z+1/2,+1
6 y,-x,-z+1/2,+1
7 -y,x,-z+1/2,+1
8 x,y,-z+1/2,+1
9 x,-y,-z+1/2,-1
10 -x,y,-z+1/2,-1
11 y,x,-z+1/2,-1
12 -y,-x,-z+1/2,-1
13 -x,y,z,-1
14 x,-y,z,-1
15 -y,-x,z,-1
16 y,x,z,-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
Pr1_1 Pr 0.00000 0.00000 0.00000
Pr1_2 Pr  0.50000 0.50000 0.25000
Pr1_3 Pr  0.50000 0.50000 0.75000
Co1_1 Co 0.00000 0.50000 0.12500
Co1_2 Co  0.00000 0.50000 0.62500
P1_1 P 0.00000 0.00000 0.18485
P1_2 P  0.00000 0.00000 0.81515
P1_3 P  0.50000 0.50000 0.43485
P1_4 P  0.50000 0.50000 0.93485

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Pr1_1 0.00000 0.00000 3.08(2) 0,0,mz
Pr1_2 0.00000 0.00000 -3.08 0,0,mz
Pr1_3 0.00000 0.00000 -3.08 0,0,mz
Co1_1 0.00000 0.00000 0.90(5) 0,0,mz
Co1_2 0.00000 0.00000 -0.90 0,0,mz
