#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/27/2022
# From the magCIF file in the supplementary material of the paper 

data_5yOhtAoR
_audit_creation_date            2022-01-27
_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                    "Ho Ba Cu O6"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        104
_citation_page_first            .
_citation_page_last             .
_citation_article_id            144401
_citation_year                  2021
_citation_DOI                   10.1103/PhysRevB.104.144401

loop_
_citation_author_name
"P. Yanda"
"F. Orlandi"
"P. Manuel"
"N. Boudjada"
"J. Rodriguez-Carvajal"
"A. Sundaresan"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     8
_experiment_temperature     2.3

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY1 2 2 special primary 9 .
mGM4- 1 1 . primary 6 .
mGM3- 1 1 . secondary 3 No

_exptl_crystal_magnetic_properties_details
;
NPD
Between 17.5K and 8K another magnetic phase exists (see #1.651)
;

_active_magnetic_irreps_details
;
2k magnetic structure
Two irreps active, one of them (mY1) already present in the phase oberved at higher temperature
A secondary irrep is allowed by the MSG, but the amplitudes of its modes are null in the reported model
;

_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 1/2 0]
k2 [0 0 0]

_parent_space_group.child_transform_Pp_abc  'a,2b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,c,a-b;0,1/4,0'

_space_group_magn.number_BNS  14.77
_space_group_magn.name_BNS  "P 2_1'/c"
_space_group_magn.point_group_name  "2'/m"
_space_group_magn.point_group_number  "5.3.14"
_cell_length_a                 12.1776(3)
_cell_length_b                 11.3235(3)
_cell_length_c                 7.1228(2)
_cell_angle_alpha              90.0000
_cell_angle_beta               90.0000
_cell_angle_gamma              90.0000

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+1/2,-y,z+1/2,-1 
4 -x,-y+1/2,-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
_atom_site_occupancy
Ho1_1 Ho 0.2868(9) 0.12500 0.1164(14) 1
Ho1_2 Ho 0.2868(9) 0.62500 0.1164(14) 1
Ho2_1 Ho 0.0745(5) 0.12500 0.3957(10) 1
Ho2_2 Ho 0.0745(5) 0.62500 0.3957(10) 1
Cu1_1 Cu 0.6581(13) 0.12500 0.7077(16) 1
Cu1_2 Cu 0.6581(13) 0.62500 0.7077(16) 1
Ba1_1 Ba 0.903(2) 0.12500 0.932(2) 1
Ba1_2 Ba 0.903(2) 0.62500 0.932(2) 1
O1_1 O 0.4350(10) 0.9991(13) 0.1646(12) 1
O1_2 O 0.4350(10) 0.4991(13) 0.1646(12) 1
O1_3 O 0.9350(10) 0.2509(13) 0.3354(12) 1
O1_4 O 0.9350(10) 0.7509(13) 0.3354(12) 1
O2_1 O 0.2275(9) 0.7534(18) 0.351(2) 1
O2_2 O 0.2275(9) 0.2534(18) 0.351(2) 1
O2_3 O 0.7275(9) 0.4966(18) 0.149(2) 1
O2_4 O 0.7275(9) 0.9966(18) 0.149(2) 1
O3_1 O 0.1020(16) 0.12500 0.085(2) 1
O3_2 O 0.1020(16) 0.62500 0.085(2) 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
Ho1_1 7.17(12) 0.0 0.82(14)  mx,my,mz 7.21 ? ?
Ho1_2 -2.59(12) 0.0 2.86(14) mx,my,mz 3.86 ? ?
Ho2_1 1.05(12) 0.0 -8.46(17) mx,my,mz 8.52 ? ?
Ho2_2 1.17(12) 0.0 -8.32(17) mx,my,mz 8.40 ? ?
Cu1_1 -0.77(11) 0.0 0.65(13)  mx,my,mz 1.01 ? ?
Cu1_2 0.69(11) 0.0 0.17(13)  mx,my,mz  0.71 ? ?

