#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/30/2026

data_5yOhtAoR
_audit_creation_date            2026-03-30
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    "Tm1 Cr1 O3"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW MATERIALS"
_citation_journal_volume        10
_citation_page_first            .
_citation_page_last             .
_citation_article_id            024406
_citation_year                  2026
_citation_DOI                   10.1103/2bh3-t78c

loop_
_citation_author_name
"Vishesh Sharma"
"Gaurav Gautam"
"Poonam Yadav"
"Chin-Wei Wang"
"Kaya Wei"
"N. P. Lalla"
"Theo Siegrist"
"Shivani Sharma"

_temperature_position_structure         200
_temperature_atom_positions             ?
_temperature_non-magn_atom_positions    ?
_temperature_cell_parameters            ?

_atomic_positions_source_database_code_ICSD  251104
_atomic_positions_source_other               .

_transition_temperature     30
_experiment_temperature     3.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+ 1 1 . primary 5 .
mGM4+ 1 1 . primary 4 .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a determination at 200K
See entry #0.587 for a different model of higher symmetry proposed for the structure of this phase
;

_active_magnetic_irreps_details
;
1k magnetic structure
two 1-dim irreps as primary
FM on the plane yz
;

_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  '-c,a,-b+c;0,0,0'


_space_group_magn.number_BNS  14.79
_space_group_magn.name_BNS  "P 2_1'/c'"
_space_group_magn.point_group_name  "2'/m'"
_space_group_magn.point_group_number  "5.5.16"
_cell_length_a                 5.50850
_cell_length_b                 7.50510
_cell_length_c                 5.21110
_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+1/2,-y+1/2,-z+1/2,-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
Tm1 Tm 0.06766 0.25000 0.98180 1
Cr1_1 Cr 0.00000 0.00000 0.50000 1
Cr1_2 Cr 0.50000 0.00000 0.00000 1
O1 O 0.45300 0.25000 0.11360 1
O2_1 O 0.30190 0.05620 0.69080 1
O2_2 O 0.19810 0.94380 0.19080 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
_atom_site_moment.magnitude
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Tm1 0.54(4) 0.25(1) -0.54(3) mx,my,mz 0.8(1) ? ?
Cr1_1 0.22(5) 1.56(5) 1.26(6) mx,my,mz 2.02(1) ? ?
Cr1_2 -0.22(5) -1.56(5) -1.26(6) mx,my,mz 2.02(1) ? ?

