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#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/52/1535265.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_1535265
loop_
_publ_author_name
'Hidouri, M.'
'Lajmi, B.'
'Driss, A.'
'Ben Amara, M.'
_publ_section_title
;
 Synthesis and crystal structure of Na~1.28~Ni~0.86~Fe₂(PO₄)₃
;
_journal_issue                   10
_journal_name_full               'Journal of Chemical Crystallography'
_journal_page_first              669
_journal_page_last               672
_journal_paper_doi               10.1023/B:JOCC.0000047641.37337.db
_journal_volume                  34
_journal_year                    2004
_chemical_formula_sum            'Fe2 Na1.28 Ni0.86 O12 P3'
_chemical_name_systematic        'Na1.28 Ni0.86 Fe2 (P O4)3'
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2 (z,x,y)'
_symmetry_space_group_name_H-M   'I m m a (c,a,b)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.438
_cell_length_b                   10.515
_cell_length_c                   13.166
_cell_volume                     891.280
_citation_journal_id_ASTM        JCCYEV
_cod_data_source_file            Hidouri_JCCYEV_2004_867.cif
_cod_data_source_block           Fe2Na1.28Ni0.86O12P3
_cod_original_cell_volume        891.28
_cod_original_sg_symbol_H-M      'I b m m'
_cod_database_code               1535265
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z+1/2
-x,y,-z
-x,-y,z+1/2
-x,-y,-z
-x,y,z-1/2
x,-y,z
x,y,-z-1/2
x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,-z+1
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1
-x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z+1/2
x+1/2,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
O2 O-2 0.2115 0.13829 0.50702 1 0.0
Na2 Na+1 0.5 0 0.5 0.277 0.0
O3 O-2 -0.047 0 0.6538 1 0.0
O4 O-2 0.2315 0.1187 0.75 1 0.0
O1 O-2 0.0608 0.284 0.36469 1 0.0
P1 P+5 0.25 0.25 0.42783 1 0.0
P2 P+5 0.0851 0 0.75 1 0.0
Na1 Na+1 -0.4026 0 0.75 1 0.0
Ni1 Ni+2 0.5 0.5 0.5 0.8615 0.0
Fe1 Fe+3 0.25 0.25 0.63503 1 0.0
