#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:11:37
# Database entry: 1.92 HoFe3(BO3)4
# Cif-like file for the case 1.92


data_5yOhtAoR
_audit_creation_date            2017-11-19
_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 Fe3 (B O3 )4'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        20
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            365209
_citation_year                  2008
_citation_DOI                   10.1088/0953-8984/20/36/365209

loop_
_citation_author_name
"C. Ritter"
"A. Vorotynov"
"A. Pankrats"
"G. Petrakovskii"
"V. Temerov"
"I. Gudim"
"R. Szymczak"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     5
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mA2 1 1 . primary 7 .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (2 possible)
1-dim primary irrep
similar to TbFe3(BO3)4 (see entry 1.91) but with non-collinarity of Ho moments, while maintaining the same magnetic symmetry.
Similar to DyFe3(BO3)4 (see entry 1.89).
Modulus Ho moment: 5 . Ho moment components only approximate
;

_parent_space_group.name_H-M_alt  'P  3_121'
_parent_space_group.IT_number                       152
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 1/2]

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


_space_group_magn.number_BNS  154.44
_space_group_magn.name_BNS  "P_c  3_221"
_space_group_magn.point_group_name  "321'"
_space_group_magn.point_group_number  "18.2.66"
_cell_length_a                 9.51430
_cell_length_b                 9.51430
_cell_length_c                 15.07870
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -y,x-y,z+2/3,+1
3 -x+y,-x,z+1/3,+1
4 x-y,-y,-z+5/6,+1
5 y,x,-z+1/2,+1
6 -x,-x+y,-z+1/6,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x,y,z+1/2,-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 Ho 0.33560 0.00000 0.16667 1
Fe1 Fe 0.88380 0.00000 0.16667 1
Fe2 Fe 0.78730 0.44960 0.17265 1
O1 O 0.92500 0.00000 0.41667 1
O2 O 0.41900 0.72200 0.06250 1
O3 O 0.87300 0.69400 0.41150 1
O4 O 0.85700 0.63900 0.09450 1
O5 O 0.47500 0.14400 0.42050 1
O6 O 0.18400 0.00000 0.41667 1
O7 O 0.47520 0.46400 0.40800 1
B1 B 0.32900 0.00000 0.41667 1
B2 B 0.54900 0.87740 0.07450 1
B3 B 0.77900 0.00000 0.41667 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
Ho1 1.15 2.3 -4.6 mx,2mx,mz
Fe1 0.0 0.0 4.4 mx,2mx,mz
Fe2 0.0 0.0 4.4 mx,my,mz

