#Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/08/2018 10:51:35
# Database entry: 0.36 NiF2
# Cif-like file for the case 0.36


data_5yOhtAoR
_audit_creation_date            2018-06-08
_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                    'Ni F2'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "J. Phys. C: Solid State Phys."
_citation_journal_volume        14
_citation_page_first            5171
_citation_page_last             5184
_citation_article_id            .
_citation_year                  1981
_citation_DOI                   10.1088/0022-3719/14/33/023

loop_
_citation_author_name
"P.J. Brown"
"J.B. Forsyth"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               "."

_transition_temperature     73
_experiment_temperature     ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5 2 2 special primary . .

_exptl_crystal_magnetic_properties_details
;
PNPD
my = weak ferromagnetic component
value of weak F component from macroscopic measurements
very small orthorhombic strain of the unit cell detected in other studies. A Pnnm structural model consistent with the
magnetic symmetry has been reported (icsd 73728)
;

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

_parent_space_group.name_H-M_alt  'P  4_2/m  n  m'
_parent_space_group.IT_number                       136
_parent_space_group.transform_Pp_abc  'a,b,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  'b,-a,c;0,0,0'


_space_group_magn.number_BNS  58.398
_space_group_magn.name_BNS  "P  n  n'  m'  "
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 4.71000
_cell_length_b                 4.71000
_cell_length_c                 3.11800
_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+1/2,y+1/2,-z+1/2,+1
3 -x,-y,-z,+1
4 x+1/2,-y+1/2,z+1/2,+1
5 x+1/2,-y+1/2,-z+1/2,-1
6 -x,-y,z,-1
7 -x+1/2,y+1/2,z+1/2,-1
8 x,y,-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
Ni Ni 0.00000 0.00000 0.00000 1
F F 0.30330 0.30330 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
Ni -2. 0.03 0.0 mx,my,0

