#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 07/10/2020


data_5yOhtAoR
_audit_creation_date            2020-10-07
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "JOURNAL OF SOLID STATE CHEMISTRY"
_citation_journal_volume        78
_citation_page_first            108
_citation_page_last             161
_citation_article_id            ?
_citation_year                  1989
_citation_DOI                   10.1016/0022-4596(89)90133-3

loop_
_citation_author_name
"P. Battle"
"C. Jones"



_atomic_positions_source_database_code_ICSD  202868
_atomic_positions_source_other               .

_transition_temperature  35
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX5+  6  2  special  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD
The fit of the model was done only considering a single peak of the magnetic diffraction
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (3 possible)
2-dim small irrep along a special direction as primary
The irrep star has 3 k-vectors; therefore posibly 2k and 3k models could fit equally the data
;

_parent_space_group.name_H-M_alt  'F m -3 m'
_parent_space_group.IT_number                       225
_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]

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



_space_group_magn.number_BNS  64.480
_space_group_magn.name_BNS  "C_A m c a"
_cell_length_a             8.26190
_cell_length_b             8.26190
_cell_length_c             8.26190
_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,-z,+1
3 x,-y+1/2,-z+1/2,+1
4 -x,-y+1/2,z+1/2,+1
5 -x,-y,-z,+1
6 x,-y,z,+1
7 -x,y+1/2,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+1/2,-1
4 x+1/2,y,z+1/2,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1 Ba 0.25000 0.25000 0.25000
Lu1 Lu 0.50000 0.50000 0.50000
Ru1 Ru 0.00000 0.00000 0.00000
O1_1 O 0.76310 0.00000 0.00000
O1_2 O  0.00000 0.76310 0.00000
O1_3 O  0.00000 0.00000 0.76310

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
Ru1 0.0 4.4(1) 0.0  0,my,0  4.4(1)


