#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 12/08/2019
# Corrected c-parameter (05/05/2023)


data_5yOhtAoR
_audit_creation_date            2019-08-12
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Inorg. Chem."
_citation_journal_volume        57
_citation_page_first            5820
_citation_page_last             5829
_citation_article_id            ?
_citation_year                  2018
_citation_DOI                   10.1021/acs.inorgchem.8b00208

loop_
_citation_author_name
"V. Gvozdetskyi"
"A. Senyshyn"
"R. Gladyshevskii"
"V. Hlukhyy"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  180
_experiment_temperature  4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+  1  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (6 possible)
1-dim irrep active
;

_parent_space_group.name_H-M_alt  'I4/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 0]

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



_space_group_magn.number_BNS  139.535
_space_group_magn.name_BNS  "I 4'/m m m'"
_cell_length_a             8.75780
_cell_length_b             8.75780
_cell_length_c             5.06328
_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,-z,+1 
4 -x,-y,z,+1 
5 -x,-y,-z,+1 
6 -x,y,z,+1 
7 x,-y,z,+1 
8 x,y,-z,+1 
9 -y,x,z,-1 
10 y,-x,z,-1 
11 y,x,-z,-1 
12 -y,-x,-z,-1 
13 y,-x,-z,-1 
14 -y,x,-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 
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
Ca1 Ca 0.00000 0.00000 0.00000
Fe1 Fe 0.25000 0.25000 0.25000
Al1 Al 0.34250 0.00000 0.00000
Al2 Al 0.27460 0.50000 0.00000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Fe1 0.037(68) 0.037 0.712(14) mx,mx,mz

