#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:54:46
# Database entry: 0.88 LiNiPO4
# Cif-like file for the case 0.88


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                    'Li Ni P O4'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        79
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            092412
_citation_year                  2009
_citation_DOI                   10.1103/PhysRevB.79.092412

loop_
_citation_author_name
"T.B.S. Jensen"
"N.B. Christensen"
"M. Kenzelmann"
"H.M. Ronnow"
"C. Niedermayer"
"N.H. Andersen"
"K. Lefmann"
"J. Schefer"
"M. v. Zimmermann"
"J. Li"
"J.L. Zarestky"
"D. Vaknin"






_atomic_positions_source_database_code_ICSD   402760
_atomic_positions_source_other               .

_transition_temperature     20.8
_experiment_temperature     5

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

_exptl_crystal_magnetic_properties_details
;
NSD
Magnetoelectric phase
At higher temperatures, between 20.8K and 21.8K an INC phase exists where the ME effect disappears.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim active irrep (i.e. equivalence between irrep and magnetic space group)
Magnetoelectric point-group mm'm. Non-zero coefficients of the linear ME tensor: Q13 and Q31
Symmetry-allowed spin canting is observed.
;

_parent_space_group.name_H-M_alt  'P  n  m  a'
_parent_space_group.IT_number                       62
_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  62.444
_space_group_magn.name_BNS  "P  n  m'  a"
_space_group_magn.point_group_name  "m'mm"
_space_group_magn.point_group_number  "8.3.26"
_cell_length_a                 10.03180
_cell_length_b                 5.85460
_cell_length_c                 4.68100
_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+1/2,-z,+1
3 -x+1/2,y+1/2,z+1/2,+1
4 x+1/2,y,-z+1/2,+1
5 x+1/2,-y+1/2,-z+1/2,-1
6 -x+1/2,-y,z+1/2,-1
7 -x,-y,-z,-1
8 x,-y+1/2,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
Li1 Li 0.00000 0.00000 0.00000 1
Ni1 Ni 0.27563 0.25000 0.98280 1
P1 P 0.09440 0.25000 0.41770 1
O1 O 0.09980 0.25000 0.74220 1
O2 O 0.45170 0.25000 0.20110 1
O3 O 0.16590 0.04260 0.27790 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 0.3(1) 0.0 2.2(2) mx,0,mz

