#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 14/05/2021 

data_5yOhtAoR
_audit_creation_date            2021-05-14
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Eur. Phys. J. B"
_citation_journal_volume        51
_citation_page_first            173
_citation_page_last             180
_citation_article_id            .
_citation_year                  2006
_citation_DOI                   10.1140/epjb/e2006-00207-9

loop_
_citation_author_name
"T. Mazet"
"H. Ihou-Mouko"
"J.F. Mareche"
"B. Malaman"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  380
_experiment_temperature  2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM6+  2  2  special  primary  2  .
mGM3+  1  1   .     secondary 1 no

_exptl_crystal_magnetic_properties_details
;
NPD
Moment direction on the basal plane ab is undetermined. Here a direction which maximizes the symmetry is chosen arbitrarily. FM only along a, with this choice.
The magnetic structure at 300K is also reported. Mn mooment magnitude at 300K: 1.76(6)
;

_active_magnetic_irreps_details
;
1k magnetic structure
2-dim irrep along a special direction as primary
A secondary irrep is symmetry allowed. It corresponds to the allowed my component at the split Mn1_2 site.
;

_parent_space_group.name_H-M_alt  'P 6/m m m'
_parent_space_group.IT_number                       191
_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,a+2b,c;0,0,0'

_space_group_magn.number_BNS  65.486
_space_group_magn.name_BNS  "C m m' m'"
_cell_length_a             5.49100
_cell_length_b             5.49100
_cell_length_c             9.01200
_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 x-y,-y,-z,+1 
3 -x,-y,-z,+1 
4 -x+y,y,z,+1 
5 -x+y,y,-z,-1 
6 -x,-y,z,-1 
7 x-y,-y,z,-1 
8 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
Mn1_1 Mn 0.50000 0.00000 0.25100
Mn1_2 Mn  0.00000 0.50000 0.25100
Sn1 Sn 0.33333 0.66667 0.00000
Sn2 Sn 0.33333 0.66667 0.50000
Sn3 Sn 0.00000 0.00000 0.18000
Li1 Li 0.00000 0.00000 0.50000

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_1 2.58(3) 0.00000 0.00000 mx,0,0   2.58(3)
Mn1_2 2.58(3) 0.00000 0.00000 mx,my,0  2.58(3)

