#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 27/03/2021 

data_5yOhtAoR
_audit_creation_date            2021-03-27
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Chem. Phys."
_citation_journal_volume        43
_citation_page_first            222
_citation_page_last             225
_citation_article_id            .
_citation_year                  1965
_citation_DOI                   10.1063/1.1696459

loop_
_citation_author_name
"M. Atoji"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_temperature_position_structure         298
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_transition_temperature  598(5)
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence 
mM3+  1  1  .  primary  1  .
mM5+  2  2  special primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 298K
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two irreps as primary: two order parameters present in the sense of Landau theory. 
The direction of the Cr moment component on the basal plane is undetermined. Here a direction of maximal symmetry has been assumed.
;

_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]

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



_space_group_magn.number_BNS  14.83
_space_group_magn.name_BNS  "P_A 2_1/c"
_cell_length_a             3.006
_cell_length_b             3.006
_cell_length_c             8.663
_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+1/2,-y+1/2,-z+1/2,+1 
3 -x,-y,-z,+1 
4 -x+1/2,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+1/2,-1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Al1 Al 0.00000 0.00000 0.00000
Cr1 Cr 0.00000 0.00000 0.31900

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
Cr1 0.00000 -0.83 -0.39 0,my,mz  0.92(2)

