#\#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        "Solid State Communications"
_citation_journal_volume        12
_citation_page_first            985
_citation_page_last             991
_citation_article_id            ?
_citation_year                  1973
_citation_DOI                   10.1016/0038-1098(73)90021-5

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



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  7
_experiment_temperature  1.5

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
;
NPD
Positional structure from a determination at room temperature
See also NSD study of the sulphur compound by Abbas et al., Physica B+C, 86-88, 115 (1977). The model there was 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.
Here we assume this correction is also valid for the selenium compound.
Tb moment: 6.5(2) angle with the c axis: 30(10) degrees
;

_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             3.876
_cell_length_b             6.713
_cell_length_c             13.718
_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 0.1455
S1 S 0.00000 0.00000 0.00000
O1 O 0.00000 0.33333 0.314

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 3.3 5.6 0,my,mz


