#Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/08/2018 15:57:25
# Database entry: 1.9 Li2VOSiO4
# Cif-like file for the case 1.9


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                    'Li2 V O Si O4'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW LETTERS"
_citation_journal_volume        93
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            027202
_citation_year                  2004
_citation_DOI                   10.1103/PhysRevLett.93.027202

loop_
_citation_author_name
"A. Bombardi"
"J. Rodriguez-Carvajal"
"S.D. Matteo"
"F. de Bergevin"
"L. Paolasini"
"P. Carretta"
"P. Millet"
"R. Caciuffo"





_atomic_positions_source_database_code_ICSD   59359
_atomic_positions_source_other               "."

_transition_temperature     2.8
_experiment_temperature     1.44

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM1 2 2 special primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD and RXS
moment modulus of V: 0.63(3)
non-significant digits in the moment components to comply with reported moment modulus.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (6 possible)
2-dim active irrep
;

_parent_space_group.name_H-M_alt  'P  4/n  m  m'
_parent_space_group.IT_number                       129
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 1/2 0]

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


_space_group_magn.number_BNS  57.389
_space_group_magn.name_BNS  "P_A  b  c  m"
_space_group_magn.point_group_name  "mmm1'"
_space_group_magn.point_group_number  "8.2.25"
_cell_length_a                 12.71000
_cell_length_b                 12.71000
_cell_length_c                 4.44900
_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+3/4,-y+1/4,z,+1
3 -y,-x+1/2,-z,+1
4 y+1/4,x+1/4,-z,+1
5 -x+1/2,-y+1/2,-z,+1
6 x+1/4,y+3/4,-z,+1
7 y+1/2,x,z,+1
8 -y+3/4,-x+3/4,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+1/2,z,+1
3 x+1/2,y,z,-1
4 x,y+1/2,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_1 Li 0.00000 0.00000 0.50000 1
Li1_2 Li 0.25000 0.00000 0.50000 1
V1 V 0.12500 0.12500 0.08570 1
Si1 Si 0.37500 0.12500 0.00000 1
O1 O 0.12500 0.47835 0.21800 1
O2 O 0.12500 0.12500 0.72090 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
V1 0.445 0.445 0.0 mx,mx,0

