#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 14/06/2020

data_5yOhtAoR
_audit_creation_date            2020-06-14
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Physica B+C"
_citation_journal_volume        86-88
_citation_page_first            115
_citation_page_last             117
_citation_article_id            ?
_citation_year                  1977
_citation_DOI                   10.1016/0378-4363(77)90251-0

loop_
_citation_author_name
"Y. Abbas"
"J. Rossat-Mignod"
"F. Tcheou"
"G. Quezel"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               "Abbas et al., Solid State Comm. 12, 985 (1973)"

_transition_temperature  6
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mL1-  3  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NSD
Position structure from a determination at room temperature
See also NPD study by Abbas et al., Solid State Comm. 12, 985 (1973). The model there is here corrected with respect to the direction of the moment component on the ab plane. The previous model implied a lower symmetry and more than one irrep involved as primary.
Tb moment: 7.2(2), angle with c axis: 47(2) degrees
A lattice strain is observed at the transition and reported a triclinic. It is supposed to be induced by the AFM ordering, but in fact the magnetic ordering is monoclinic. No strain is included in the present model.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim small irrep as primary
;

_parent_space_group.name_H-M_alt  'P -3 m 1'
_parent_space_group.IT_number                       164
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 1/2 1/2]

_parent_space_group.child_transform_Pp_abc  'a,a+2b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'b+c,-a,c;0,0,1/4'



_space_group_magn.number_BNS  15.90
_space_group_magn.name_BNS  "C_c 2/c"
_cell_length_a             3.81400
_cell_length_b             6.60600
_cell_length_c             13.23200
_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+1/2,+1
4 -x,y,z+1/2,+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
3 x,y,z+1/2,-1
4 x+1/2,y+1/2,z,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Tb1 Tb 0.00000 0.33333 0.14100
S1 S 0.00000 0.00000 0.00000
O1 O 0.00000 0.33333 0.31500

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Tb1 0.0 5.3 4.9 0,my,mz


