#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/20/2017 13:33:32
# Database entry: 1.194 NiWO4
# Cif-like file for the case 1.194


data_5yOhtAoR
_audit_creation_date            2017-11-20
_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 W O4'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        96
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            014428
_citation_year                  2017
_citation_DOI                   10.1103/PhysRevB.96.014428

loop_
_citation_author_name
"M.A. Prosnikov"
"V.Y. Davydov"
"A.N. Smirnov"
"M.P. Volkov"
"R.V. Pisarev"
"P. Becker"
"L. Bohaty"




_atomic_positions_source_database_code_ICSD   15852
_atomic_positions_source_other               .

_transition_temperature     62
_experiment_temperature     ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY1- 1 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
Magnetic structure originally determined in C. Wilkinson and M. J. Sprague, Z. Kristallogr. - Cryst. Mater.
145, 96 (1977).
Moment componets of Ni1 only approximate, estimated from modulus and angle given in the above reference
;

_active_magnetic_irreps_details
;
k-maximal magnetic symmetry (4 possible)
one single irrep active
;

_parent_space_group.name_H-M_alt  'P  2/c'
_parent_space_group.IT_number                       13
_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 0]

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


_space_group_magn.number_BNS  13.70
_space_group_magn.name_BNS  "P_a  2/c"
_space_group_magn.point_group_name  "2/m1'"
_space_group_magn.point_group_number  "5.2.13"
_cell_length_a                 9.19840
_cell_length_b                 5.66060
_cell_length_c                 4.90680
_cell_angle_alpha              90.00
_cell_angle_beta               90.03
_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+1/2,-y,-z,+1
4 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,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
Ni1 Ni 0.25000 0.66160 0.25000 1
W1 W 0.00000 0.17860 0.25000 1
O1 O 0.11205 0.11050 0.92040 1
O2 O 0.13220 0.37720 0.39530 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
Ni1 -0.75 0.0 -2.12 mx,0,mz

