#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 25/02/2020 16:27:53
# parent_1.5K_P21-n.cif

data_5yOhtAoR
_audit_creation_date            2020-02-25
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Acta Materialia"
_citation_journal_volume        173
_citation_page_first            20
_citation_page_last             26
_citation_article_id            ?
_citation_year                  2019
_citation_DOI                   10.1016/j.actamat.2019.04.044

loop_
_citation_author_name
"L. Ding"
"D.D. Khalyavin"
"P. Manuel"
"J. Blake"
"F. Orlandi"
"W. Yi"
"A.A. Belik"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  80
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1+  1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Parent space group and MSG in non-standard setting P2_1/n
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (2 possiblle)
1-dim irrep primary
Ferromagnetic along b
;

_parent_space_group.name_H-M_alt  'P 2_1/c'
_parent_space_group.IT_number                       14
_parent_space_group.transform_Pp_abc  'a,b,-a+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,-a+c;0,0,0'



_space_group_magn.number_BNS  14.75
_space_group_magn.name_BNS  "P 2_1/c"
_cell_length_a             5.27090
_cell_length_b             5.38750
_cell_length_c             7.67020
_cell_angle_alpha          90.00
_cell_angle_beta           90.01
_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+1/2,y+1/2,-z+1/2,+1
3 -x,-y,-z,+1
4 x+1/2,-y+1/2,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
_atom_site_occupancy
Tl1 Tl 0.01480 0.04810 0.75360 1.
Mn1 Mn 0.50000 0.00000 0.00000 0.85
Ni1 Ni 0.50000 0.00000 0.00000 0.15
Ni2 Ni 0.50000 0.00000 0.50000 0.85
Mn2 Mn 0.50000 0.00000 0.50000 0.15
O1 O 0.89110 0.44840 0.74340 1.
O2 O 0.31300 0.29450 0.94200 1.
O3 O 0.70760 0.69430 0.43930 1.

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Mn1 0.00000 1.51(4) 0.00000 mx,my,mz
Ni2 0.00000 0.99(5) 0.00000 mx,my,mz

