#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:17:06
# Database entry: 1.159 Li2Ni(WO4)2
# Cif-like file for the case 1.159


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                    'Li2 Ni (W O4 )2'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        92
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            014413
_citation_year                  2015
_citation_DOI                   10.1103/PhysRevB.92.014413

loop_
_citation_author_name
"S.K. Karna"
"C.W. Wang"
"R. Sankar"
"M. Avdeev"
"A. Singh"
"I.P. Muthuselvam"
"V.N. Singh"
"G.Y. Guo"
"F.C. Chou"




_atomic_positions_source_database_code_ICSD   92853
_atomic_positions_source_other               .

_transition_temperature     13
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
? ? ? ? ? ? ?

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
MSG is maximal and minimal for the observed propagation vector. centrosymmetry is maintained for any orientation of the Ni spin.
;

_parent_space_group.name_H-M_alt  'P  -1'
_parent_space_group.IT_number                       2
_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;1/4,0,0'


_space_group_magn.number_BNS  2.7
_space_group_magn.name_BNS  "P_S  -1"
_space_group_magn.point_group_name  "-11'"
_space_group_magn.point_group_number  "2.2.4"
_cell_length_a                 9.81400
_cell_length_b                 5.60200
_cell_length_c                 11.68060
_cell_angle_alpha              70.92
_cell_angle_beta               88.52
_cell_angle_gamma              115.45

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -x+1/2,-y,-z,+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+1/2,+1
3 x+1/2,y,z,-1
4 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
W1 W 0.13215 0.53370 0.33245 1
Ni1 Ni 0.25000 0.00000 0.00000 1
O1 O 0.48390 0.24210 0.46155 1
O2 O 0.25680 0.74990 0.40500 1
O3 O 0.27410 0.72180 0.16495 1
O4 O 0.02185 0.72760 0.27150 1
Li1 Li 0.01350 0.07200 0.12700 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 1.3(2) 0.0 1.4(2) mx,my,mz

