#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:06:05
# Database entry: 1.14 Ho2BaNiO5
# Cif-like file for the case 1.14


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                    'Ho2 Ba Ni O5'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Solid State Communications"
_citation_journal_volume        85
_citation_page_first            553
_citation_page_last             559
_citation_article_id            .
_citation_year                  1993
_citation_DOI                   10.1016/0038-1098(93)90306-8

loop_
_citation_author_name
"E. Garcia-Matres"
"J. Rodriguez-Carvajal"
"J. Martinez"
"A. Salinas-Sanchez"
"R. Saez-Puche"





_atomic_positions_source_database_code_ICSD   67930
_atomic_positions_source_other               .

_transition_temperature     53
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mR2+ 2 1 . primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
;

_parent_space_group.name_H-M_alt  'I  m  m  m'
_parent_space_group.IT_number                       71
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

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


_space_group_magn.number_BNS  15.90
_space_group_magn.name_BNS  "C_c  2/c"
_space_group_magn.point_group_name  "2/m1'"
_space_group_magn.point_group_number  "5.2.13"
_cell_length_a                 7.50910
_cell_length_b                 5.73190
_cell_length_c                 22.54300
_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+1/2,+1
3 -x,-y,-z,+1
4 x,-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+1/4,y+1/2,z+3/4,+1
3 x+1/2,y,z+1/2,+1
4 x+3/4,y+1/2,z+1/4,+1
5 x+1/2,y,z,-1
6 x+3/4,y+1/2,z+3/4,-1
7 x+1/4,y+1/2,z+1/4,-1
8 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 0.25000 0.00000 0.10125 1
Ba1 Ba 0.250000 0.50000 0.00000 1
Ni1 Ni 0.00000 0.00000 0.00000 1
O1 O 0.00000 0.24140 0.07475 1
O2 O 0.25000 0.00000 0.00000 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 0.12 0.0 9.06 mx,0,mz
Ni1 0.58 0.0 -1.26 mx,0,mz

