#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/11/2020

data_5yOhtAoR
_audit_creation_date            2020-11-05
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        30
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            435803
_citation_year                  2018
_citation_DOI                   10.1088/1361-648X/aae28d

loop_
_citation_author_name
"H.S. Nair"
"C.M.N. Kumar"
"D.T. Adroja"
"C. Ritter"
"A.S. Wills"
"W.A. Kockelmann"
"P.P. Deen"
"A. Bhattacharyya"
"A.M. Strydom"



_atomic_positions_source_database_code_ICSD  230824
_atomic_positions_source_other               .

_transition_temperature  5.1
_experiment_temperature  2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM4+  3  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k  magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim small irrep as primary
The star of the active irrep has 3 k-vectors. The possible multi-k models according to the same irrep  that could equally fit the data are not considered in the article.
The active irrep includes a second spin mode along c, which is not present in the magnetic structure
;

_parent_space_group.name_H-M_alt  'P 6_3/m m c'
_parent_space_group.IT_number                       194
_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  '1/2a+1/2b,-1/2a+1/2b,c;0,0,0'



_space_group_magn.number_BNS  60.431
_space_group_magn.name_BNS  "P_C b c n"
_cell_length_a             8.41220
_cell_length_b             8.41220
_cell_length_c             7.86930
_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 y,x+1/2,-z,+1
3 -y,-x,-z+1/2,+1
4 -x,-y+1/2,z+1/2,+1
5 -x,-y,-z,+1
6 -y,-x+1/2,z,+1
7 y,x,z+1/2,+1
8 x,y+1/2,-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+1/2,z,+1
3 x,y+1/2,z,-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
Pr1 Pr 0.00000 0.00000 0.00000
Cu1 Cu 0.16667 0.33333 0.25000
Si1 Si 0.16667 0.33333 0.75000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
_atom_site_moment.magnitude
Pr1 0.81 -0.81 0.00000 mx,-mx,mz   1.4


