#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/01/2022

data_5yOhtAoR
_audit_creation_date            2022-10-01
_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                    "La2 Zn1 Ir1 O6"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        103
_citation_page_first            .
_citation_page_last             .
_citation_article_id            L060402
_citation_year                  2021
_citation_DOI                   10.1103/PhysRevB.103.L060402

loop_
_citation_author_name
"H. Guo"
"C. Ritter"
"Y. Su"
"A. C. Komarek"
"J. S. Gardner"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    2
_temperature_cell_parameters            2

_atomic_positions_source_database_code_ICSD  81885
_atomic_positions_source_other               .

_transition_temperature     12
_experiment_temperature     1.8

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+ 1 1 . primary 6 .

_exptl_crystal_magnetic_properties_details
;
NPD
Non-standard parent setting P2_1/n
Position structure of oxygens and cell parameters are not given. Here are used those of a model at 2K from another study, retrieved from the ICSD.
The moment magnitudes in both Ir sites where forced to be equal.
In the Figures shown here, in contrast with that in the original paper, the Ir moment magnitudes at the two independent Ir sites is not scaled according to the partial Ir occupancies of the sites. 
FM on the plane ac
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep
;

_parent_space_group.name_H-M_alt  'P 2_1/n'
_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  14.79
_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                 5.58790
_cell_length_b                 5.69810
_cell_length_c                 7.92990
_cell_angle_alpha              90.00
_cell_angle_beta               90.02
_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
Zn1 Zn 0.50000 0.00000 0.00000 0.87
Ir2 Ir 0.50000 0.00000 0.00000 0.13
Zn2 Zn 0.00000 0.50000 0.00000 0.13
Ir1 Ir 0.00000 0.50000 0.00000 0.87
La1 La 0.50810 0.55020 0.25080 1.
O1 O 0.20300 0.21300 0.95180 1.
O2 O 0.29500 0.69810 0.96000 1.
O3 O 0.41270 0.97920 0.25100 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
Ir2 0.0 0.403(7) 0.773(8) mx,my,mz 0.87 ? ?
Ir1 0.0 0.30(5) 0.82(5) mx,my,mz 0.87 ? ?

