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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/28/1532846.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_1532846
loop_
_publ_author_name
'Manoun, B.'
'El Jazouli, A.'
'Gravereau, P.'
'Bouree, F.'
'Chaminade, J.P.'
_publ_section_title
;
 Determination and Rietveld refinement of the crystal structure of Li0.5
 Ni0.25 Ti O (P O4) from powder X-ray and neutron diffraction
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              290
_journal_page_last               294
_journal_volume                  17
_journal_year                    2002
_chemical_formula_sum            'Li0.5 Ni0.25 O5 P Ti'
_chemical_name_systematic        'Li0.5 Ni0.25 (Ti O) (P O4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.234
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.3906
_cell_length_b                   7.2568
_cell_length_c                   7.3673
_cell_volume                     341.658
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Manoun_PODIE2_2002_598.cif
_cod_data_source_block           Li0.5Ni0.25O5P1Ti1
_cod_original_formula_sum        'Li0.5 Ni0.25 O5 P1 Ti1'
_cod_database_code               1532846
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Li1 Li+1 0 0 0 1 0.0
O3 O-2 0.252 0.01 0.548 1 0.0
P1 P+5 0.249 0.128 0.374 1 0.0
O1 O-2 0.748 0.154 0.111 1 0.0
O2 O-2 0.261 0.001 0.206 1 0.0
Ni1 Ni+2 0.5 0 0 0.5 0.0
O5 O-2 0.055 0.249 0.366 1 0.0
O4 O-2 0.446 0.249 0.876 1 0.0
Ti1 Ti+4 0.762 0.22 0.332 1 0.0
