#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 26/07/2021 

data_5yOhtAoR
_audit_creation_date            2021-07-26
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev       "JOURNAL OF SOLID STATE CHEMISTRY"
_citation_journal_volume        3
_citation_page_first            154
_citation_page_last             160
_citation_article_id            .
_citation_year                  1971
_citation_DOI                   10.1016/0022-4596(71)90019-3

loop_
_citation_author_name
"B. Van Laar"
"H.M. Rietveld"
"D.J.W. Ijdo"

_atomic_positions_source_database_code_ICSD  42660
_atomic_positions_source_other               .

_transition_temperature  ?
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM6  2  2  special  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD
Transition temperature is not specified
Direction of the Mn moments on the xy plane is undetermined. Here a direction of maximal symmetry is arbitrarily chosen
FM along b
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim irrep along a special direction as primary
;

_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  '-b,2a+b,c;0,0,0'

_space_group_magn.number_BNS  63.463
_space_group_magn.name_BNS  "C m c' m'"
_cell_length_a             6.64000
_cell_length_b             6.64000
_cell_length_c             12.51000
_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,-x+y,-z,+1 
3 -x,-y,-z,+1 
4 x,x-y,z,+1 
5 x,x-y,-z+1/2,-1 
6 -x,-y,z+1/2,-1 
7 -x,-x+y,z+1/2,-1 
8 x,y,-z+1/2,-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
Ta1 Ta 0.00000 0.00000 0.25000
Ta2_1 Ta 0.49210 0.98420 0.25000
Ta2_2 Ta  0.01580 0.50790 0.25000
Mn1 Mn 0.00000 0.00000 0.00000
S1 S 0.33333 0.66667 0.12210
S2_1 S 0.83190 0.66380 0.37530
S2_2 S  0.33620 0.16810 0.37530

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 4.2(1) 0.00000 0,my,0  4.2(1)

