#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/31/2021

data_5yOhtAoR
_audit_creation_date            2020-11-10
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Magnetism and Magnetic Materials"
_citation_journal_volume        321
_citation_page_first            3653
_citation_page_last             3657
_citation_article_id            .
_citation_year                  2009
_citation_DOI                   10.1016/j.jmmm.2009.07.015

loop_
_citation_author_name
"C.A. Bridges"
"V.V. Krishnamurthy"
"S. Poulton"
"M.P. Paranthaman"
"B.C. Sales"
"C. Myers"
"S. Bobev"




_atomic_positions_source_database_code_ICSD  164899
_atomic_positions_source_other               .

_transition_temperature  85
_experiment_temperature  20

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3-  2  2  special  primary  2  .
mGM1-  1  1    .   primary?  1  yes

_exptl_crystal_magnetic_properties_details
;
NPD
Direction of the moment on the basal plane is undetermined; a special direction has been chosen arbitrarily
;

_active_magnetic_irreps_details
;
1k magnetic structure
2-dim irrep as primary. Although this irrep alone along a general direction results in the observed MSG, the arbitrarily chosen special direction of the moments on the basal plane, along a, keeps a higher monoclinic symmetry (MSG: C2'/m). The reduction to triclinic P-1' is due to the non-zero z-component of the Mn moments, which corresponds the 1-dim irrep mGM1-. This second irrep can then be taken as an additional primary irrep, if the special direction chosen on the xy plane is indeed realized, or as an induced secondary irrep for a more general direction on the xy plane.
;

_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 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  2.6
_space_group_magn.name_BNS  "P -1'"
_cell_length_a             4.52540
_cell_length_b             4.52540
_cell_length_c             7.44280
_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,-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
Ca1 Ca 0.00000 0.00000 0.00000
Mn1 Mn 0.33333 0.66667 0.62210
Sb1 Sb 0.33333 0.66667 0.24900

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 -3.06 0.00000 1.43 mx,my,mz  3.38(6)

