#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 13/02/2021 

data_5yOhtAoR
_audit_creation_date            2021-02-13
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Dalton Trans."
_citation_journal_volume        49
_citation_page_first            17605
_citation_page_last             17611
_citation_article_id            .
_citation_year                  2020
_citation_DOI                   10.1039/d0dt03277h

loop_
_citation_author_name
"J. Yuan"
"Y.Song"
"X. Xing"
"J. Chen"

_atomic_positions_source_database_code_ICSD  626689
_atomic_positions_source_other               .

_transition_temperature  >600
_experiment_temperature  295

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+  1  1  .  primary  1   .

_exptl_crystal_magnetic_properties_details
;
NPD
Cell parameters are not given. Taken from another study.
Moment magnitude only approximate. It is estimated from a figure in the reference
Transition temperature not reported (above 600K)
;

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

_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,c;0,0,0'



_space_group_magn.number_BNS  194.268
_space_group_magn.name_BNS  "P 6_3'/m' m' c"
_cell_length_a             4.10300
_cell_length_b             4.10300
_cell_length_c             5.46300
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -y,x-y,z,+1 
3 -x+y,-x,z,+1 
4 x,x-y,-z+1/2,+1 
5 -x+y,y,-z+1/2,+1 
6 -y,-x,-z+1/2,+1 
7 -x,-y,-z,+1 
8 y,-x+y,-z,+1 
9 x-y,x,-z,+1 
10 -x,-x+y,z+1/2,+1 
11 x-y,-y,z+1/2,+1 
12 y,x,z+1/2,+1 
13 x-y,x,z+1/2,-1 
14 -x,-y,z+1/2,-1 
15 y,-x+y,z+1/2,-1 
16 x-y,-y,-z,-1 
17 y,x,-z,-1 
18 -x,-x+y,-z,-1 
19 -x+y,-x,-z+1/2,-1 
20 x,y,-z+1/2,-1 
21 -y,x-y,-z+1/2,-1 
22 -x+y,y,z,-1 
23 -y,-x,z,-1 
24 x,x-y,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
Cr1 Cr 0.00000 0.00000 0.00000
Sb1 Sb 0.33333 0.66667 0.25000

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 0.00000 2.45 0,0,mz  2.45

