#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/22/2018 21:57:03

data_5yOhtAoR
_audit_creation_date            2018-02-22
_audit_creation_method          "Bilbao Crystallographic Server"


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        97
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            014431
_citation_year                  2018
_citation_DOI                   10.1103/PhysRevB.97.014431

loop_
_citation_author_name
"M.S. Henriques"
"D.I. Gorbunov"
"A.V. Andreev"
"X. Fabreges"
"A. Gukasov"
"M. Uhlarz"
"V. Petricek"
"B. Ouladdiaf"
"J. Wosnitza"





_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  7
_experiment_temperature  2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+ 1 1 . "secondary?" 1 yes
mGM3+ 1 1 . secondary 1 yes
mGM5+ 2 2 special "primary?" 1 yes
mGM6+ 2 2 special "primary" 2 yes

_exptl_crystal_magnetic_properties_details
;
Single crystal ND
Stable below 7K, after a spin reorientation transition. Between 39K and 7K other magnetic phase with spins along z is reported (see #0.173)
;

_active_magnetic_irreps_details
;
1k magnetic structure
Very rare case, together with the other phase at higher temperature (see #0.173), where a strong magnetic splitting of a site is reported, with two atoms that are equivalent in the paramagnetic phase having very different spin moduli.
The MSG of the structure allows the presence in the spin arrangement of spin modes corresponding to 4 different irreps, and all of them are present. Those with larger amplitudes are the mGM2+, mGM5+ and mGM6+. The amplitudes of the mGM2+ and mGM5+ spin modes are similar to their values in the preceding phase (see #0.173), the main difference being caused by the onset in this phase of two mGM6+ spin modes, which are sufficient to break the symmetry to the observed MSG.
;

_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 [0 0 0]

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


_space_group_magn.number_BNS  15.89
_space_group_magn.name_BNS  "C  2'/c'  "
_cell_length_a                 8.8587(6)
_cell_length_b                 8.8587(9)
_cell_length_c                 9.6244(5)
_cell_angle_alpha              90
_cell_angle_beta               90
_cell_angle_gamma              120.000(9)

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -y,-x,-z+1/2,-1
3 -x,-y,-z,+1
4 y,x,z+1/2,-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
_atom_site_occupancy
Pr1 Pr 0.1885 -0.1885 0.25 1
Pr2 Pr 0.1885 0.377 0.25 1
Ru1 Ru 0 0 0 1
Ru2_1 Ru 0 -0.5 0 1
Ru2_2 Ru 0 0.5 0.5 1
Ru3 Ru 0.5 0.5 0 1
Al1 Al -0.1194 -0.5597 0.25 1
Al2 Al 0.5597 0.4403 0.25 1
Al3 Al 0 0 0.25 1
Al4_1 Al -0.1631 -0.3262 0.072 1
Al4_2 Al 0.1631 0.3262 0.572 1
Al5 Al -0.1631 0.1631 0.072 1
Al6 Al -0.333333 -0.666667 0.015 1

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 0.0 0.0 3.2(3) mx,mx,mz
Pr2 0.5(2) 0.5 1.3(2) mx,my,mz


