#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 21/02/2021 

data_5yOhtAoR
_audit_creation_date            2021-02-21
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Chem. Commun."
_citation_journal_volume        55
_citation_page_first            2605
_citation_page_last             2608
_citation_article_id            .
_citation_year                  2019
_citation_DOI                   10.1039/c8cc09612k

loop_
_citation_author_name
"E. Solana-Madruga"
"Y. Sun"
"A. M. Arevalo-Lopez"
"J. P. Attfield"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  152
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1+  1  1  .  primary  8  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 293K
Ferromagnetic along c
The magnetic moments associated to the mixed sites are here assigned to the two atomic species sharing the site, listed separately.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary
;

_parent_space_group.name_H-M_alt  'P 4_2/n'
_parent_space_group.IT_number                       86
_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  86.67
_space_group_magn.name_BNS  "P 4_2/n"
_cell_length_a             7.68680
_cell_length_b             7.68680
_cell_length_c             7.69300
_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 -y,x+1/2,z+1/2,+1 
3 y+1/2,-x,z+1/2,+1 
4 -x+1/2,-y+1/2,z,+1 
5 -x,-y,-z,+1 
6 y,-x+1/2,-z+1/2,+1 
7 -y+1/2,x,-z+1/2,+1 
8 x+1/2,y+1/2,-z,+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
Mn1 Mn 0.25000 0.25000 0.25000 0.892
Ni1 Ni 0.25000 0.25000 0.25000 0.108
Mn2 Mn 0.25000 0.25000 0.75000 0.788
Ni2 Ni 0.25000 0.25000 0.75000 0.212
Ca1 Ca 0.75000 0.25000 0.22100 1.
Mn3 Mn 0.00000 0.00000 0.00000 0.366
Ni3 Ni 0.00000 0.00000 0.00000 0.634
Re1 Re 0.00000 0.00000 0.50000 1.
O1 O 0.94500 0.55600 0.23900 1.
O2 O 0.76300 0.95100 0.57100 1.
O3 O 0.73700 0.06100 0.97020 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
_atom_site_moment.magnitude
Mn1 0.00000 0.00000 3.0(1) 0,0,mz     3.0(1)
Ni1 0.00000 0.00000 3.0 0,0,mz        3.0
Mn2 0.00000 0.00000 1.2(2) 0,0,mz     1.2(2)  
Ni2 0.00000 0.00000 1.2 0,0,mz        1.2
Mn3 0.00000 0.00000 1.2(1) mx,my,mz   1.2(1)
Ni3 0.00000 0.00000 1.2 mx,my,mz      1.2
Re1 0.00000 0.00000 0.2(1) mx,my,mz   0.2(1)



