#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:53:47
# Database entry: 0.71 Li2Ni(SO4)2
# Cif-like file for the case 0.71


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 (S O4 )2'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        89
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            104419
_citation_year                  2014
_citation_DOI                   10.1103/physrevb.89.104419

loop_
_citation_author_name
"M. Reynaud"
"J. Rodriguez-Carvajal"
"J.-N. Chotard"
"J.-M. Tarascon"
"G. Rousse"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     28
_experiment_temperature     1.85

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

_exptl_crystal_magnetic_properties_details
;
NPD
atomic positions from a measurement at 35K
linear magnetoelectric
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim irrep active
;

_parent_space_group.name_H-M_alt  'P  b  c  a'
_parent_space_group.IT_number                       61
_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  'a,b,c;0,0,0'


_space_group_magn.number_BNS  61.437
_space_group_magn.name_BNS  "P  b'  c'  a'  "
_space_group_magn.point_group_name  "m'm'm'"
_space_group_magn.point_group_number  "8.5.28"
_cell_length_a                 9.12360
_cell_length_b                 9.00960
_cell_length_c                 13.55930
_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
3 -x,y+1/2,-z+1/2,+1
4 -x+1/2,-y,z+1/2,+1
5 -x,-y,-z,-1
6 -x+1/2,y+1/2,z,-1
7 x,-y+1/2,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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni Ni2+ 0.86150 0.60290 0.37800 1
Li1 Li 0.46700 0.71900 0.37500 1
Li2 Li 0.72400 0.54000 0.62600 1
S1 S 0.66000 0.81200 0.50800 1
O11 O 0.50100 0.80000 0.52330 1
O12 O 0.70400 0.96900 0.49400 1
O13 O 0.68820 0.72840 0.41690 1
O14 O 0.74260 0.75600 0.59460 1
S2 S 0.57600 0.43100 0.27400 1
O21 O 0.48240 0.49650 0.34760 1
O22 O 0.52400 0.46390 0.17130 1
O23 O 0.57360 0.26470 0.27790 1
O24 O 0.72790 0.48800 0.27930 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 0.0 0.0 2.15(12) mx,my,mz

