#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:02:54
# Database entry: 0.152 LiFePO4
# Cif-like file for the case 0.152


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 Fe P O4'
_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            024404
_citation_year                  2015
_citation_DOI                   10.1103/PhysRevB.92.024404

loop_
_citation_author_name
"R. Toft-Petersen"
"M. Reehuis"
"T.B.S. Jensen"
"N.H. Andersen"
"J. Li"
"M.D. Le"
"M. Laver"
"C. Niedermayer"
"B. Klemke"
"K. Lefmann"
"D. Vaknin"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     47
_experiment_temperature     10

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2- 1 1 . primary 1 .
mGM1- 1 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
NSD
Small spin canting and rotations are reported which reduce the symmetry of a previous model determined with NPD (see entry #0.95). This small correction means the action of a second 1-dim irrep. The paramagnetic-magnetic transition seems however to be continuous.
Positional structure from a room-temperature measurement.
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two 1-dim irreps active
Linear magnetoelectricity possible
;

_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  '-b,-c,a;0,0,0'


_space_group_magn.number_BNS  14.78
_space_group_magn.name_BNS  "P  2_1/c'  "
_space_group_magn.point_group_name  "2/m'"
_space_group_magn.point_group_number  "5.4.15"
_cell_length_a                 10.3377
_cell_length_b                 6.0112
_cell_length_c                 4.6950
_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,z+1/2,+1
3 -x,-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

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 0.00000 1
Li1_2 Li 0.00000 0.50000 0.00000 1
Fe1 Fe 0.28197 0.25000 0.97484 1
P1 P 0.09483 0.25000 0.41813 1
O1 O 0.09697 0.25000 0.74224 1
O2 O 0.45711 0.25000 0.20581 1
O3_1 O 0.16568 0.04642 0.28465 1
O3_2 O 0.83432 0.54642 0.71535 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
Fe1 -0.067(5) 4.09(4) -0.063(5) mx,my,mz

