#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/15/2020

data_5yOhtAoR
_audit_creation_date            2020-03-15
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        95
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            054432
_citation_year                  2017
_citation_DOI                   10.1103/PhysRevB.95.054432

loop_
_citation_author_name
"L. Ding"
"P. Manuel"
"D.D. Khalyavin"
"F. Orlandi"
"Y. Kumagai"
"F. Oba"
"W. Yi"
"A.A. Belik"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     89
_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
high pressure synthesized
;

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

_parent_space_group.name_H-M_alt  "P n m a"
_parent_space_group.IT_number                       62
_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  62.441
_space_group_magn.name_BNS  "P n m a"
_space_group_magn.point_group_name  "mmm"
_space_group_magn.point_group_number  "8.1.24"
_cell_length_a                 5.39539
_cell_length_b                 7.64020
_cell_length_c                 5.29163
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              90.00000

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+1/2,-z,+1
4 -x+1/2,-y,z+1/2,+1
5 -x,-y,-z,+1
6 -x+1/2,y+1/2,z+1/2,+1
7 x,-y+1/2,z,+1
8 x+1/2,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
_atom_site_occupancy
Tl1 Tl 0.04660 0.25000 -0.01460 1
Cr1 Cr 0.00000 0.00000 0.50000 1
O1 O 0.45060 0.25000 0.10940 1
O2 O 0.29990 0.05770 0.69620 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
Cr1 0.0 2.46 0.0 mx,my,mz
