#------------------------------------------------------------------------------
#$Date: 2022-09-28 14:56:03 +0100 (Wed, 28 Sep 2022) $
#$Revision: 278244 $
#$URL: svn://www.crystallography.net/cod/cif/1/10/11/1101111.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1101111
loop_
_publ_author_name
'MAUD software'
_chemical_formula_sum            'Fe Li O4 P'
_chemical_name_common            'Lithium Iron Phosphate(V)'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.3328(3)
_cell_length_b                   6.0043(2)
_cell_length_c                   4.6977(2)
_refine_ls_d_res_high            5000
_refine_ls_d_res_low             0
_reflns_d_resolution_high        50
_reflns_d_resolution_low         0.3
_cod_original_formula_sum        'Fe1 Li1 O4 P1'
_cod_database_code               1101111
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,-y,z+1/2
3 x+1/2,-y+1/2,-z+1/2
4 -x,y+1/2,-z
5 -x,-y,-z
6 x+1/2,y,-z+1/2
7 -x+1/2,y+1/2,z+1/2
8 x,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
Fe1 Fe2+ 1. 0.2816(2) 0.25 0.975(7) -0.26(8)
Li1 Li1+ 1. 0.0 0.0 0.0 -3.1(4)
P1 P 1. 0.0948(5) 0.25 0.423(1) 0.0(1)
O1 O2- 1. 0.094(1) 0.25 0.741(2) 1.0(3)
O2 O2- 1. 0.453(1) 0.25 0.227(2) -0.0779727
O3 O2- 1. 0.1613(8) 0.047(1) 0.282(1) 0.6(2)