#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 23/02/2020


data_5yOhtAoR
_audit_creation_date            2020-02-23
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        100
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            014414
_citation_year                  2019
_citation_DOI                   10.1103/PhysRevB.100.014414

loop_
_citation_author_name
"A. Sazonov"
"V. Hutanu"
"M. Meven"
"K. Rower"
"G. Roth"
"E. Lelievre-Berna"
"G. Fuchs"
"O. Zaharko"
"K. Friese"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  5.2
_experiment_temperature  2.4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM5+  2  2  special  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NSD
An orthorhombic structural distortion into space group Fmmm is reported, as a consequence of the magnetic ordering. But no specific orthorhombic strain of the lattice is mentioned, and the atomic positions and unit cell reported maintain the tetragonal parent symmetry.
Fmmm is the expected effective space group for the non-magnetic degrees of freedom under the MSG C_Amca of the structure.
The magnetic structure is described here in the standard setting of the MSG, which is also the standard setting of the effective space group Fmmm for the nuclear structure.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (3 possible)
2-dim irrep along a special direction as primary
;

_parent_space_group.name_H-M_alt  'I 4/m m m'
_parent_space_group.IT_number                       139
_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]

_parent_space_group.child_transform_Pp_abc  'a-b,a+b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'



_space_group_magn.number_BNS  64.480
_space_group_magn.name_BNS  "C_A m c a"
_cell_length_a             4.96
_cell_length_b             4.96
_cell_length_c             10.52
_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,-z+1/2,+1
4 -x+1/2,-y,z+1/2,+1
5 -x,-y,-z,+1
6 -x,y,z,+1
7 x+1/2,-y,z+1/2,+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
2 x+1/2,y+1/2,z,+1
3 x,y+1/2,z+1/2,-1
4 x+1/2,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
Ho1 Ho 0.00000 0.00000 0.00000
Ni1 Ni 0.25000 0.25000 0.25000
B1 B 0.00000 0.00000 0.35851
C1 C 0.00000 0.00000 0.50000

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 9.160(9) 0.00000 0.00000 mx,0,0

