#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/21/1532116.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_1532116
loop_
_publ_author_name
'Rousse, G.'
'Rodriguez-Carvajal, J.'
'Wurm, C.'
'Masquelier, C.'
_publ_section_title
;
 A neutron diffraction study of the antiferromagnetic diphosphate Li Fe P2
 O7
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              973
_journal_page_last               978
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Fe Li O7 P2'
_chemical_name_systematic        'Li Fe (P2 O7)'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.379
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.8091
_cell_length_b                   8.0574
_cell_length_c                   6.928
_cell_volume                     253.243
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Rousse_SSSCFJ_2002_954.cif
_cod_data_source_block           Fe1Li1O7P2
_cod_original_cell_volume        253.2427
_cod_original_formula_sum        'Fe1 Li1 O7 P2'
_cod_database_code               1532116
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
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
O4 O-2 0.0619 0.4302 0.3611 1 0.0
Fe1 Fe+3 0.2195 0.25 0.234 1 0.0
O5 O-2 0.2481 0.4056 0.0103 1 0.0
O3 O-2 0.1318 0.0616 0.3813 1 0.0
P1 P+5 0.7939 0.4704 0.4166 1 0.0
O7 O-2 0.6082 0.3197 0.4183 1 0.0
O2 O-2 0.8141 0.2156 0.0198 1 0.0
Li1 Li+1 0.803 0.384 0.819 1 0.0
O6 O-2 0.3985 0.1016 0.7475 1 0.0
O1 O-2 0.4029 0.0722 0.1099 1 0.0
P2 P+5 0.6008 0.0709 0.9802 1 0.0
