#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/64/1526446.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_1526446
loop_
_publ_author_name
'Isasi, J.'
'Daidouh, A.'
_publ_section_title
;
 Synthesis, structure and conductivity study of new monovalent phosphates
 with the langbeinite structure
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              303
_journal_page_last               313
_journal_volume                  133
_journal_year                    2000
_chemical_formula_sum            'Fe Na2 O12 P3 Ti'
_chemical_name_systematic        'Na2 Fe Ti (P O4)3'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.837
_cell_length_b                   9.837
_cell_length_c                   9.837
_cell_volume                     951.893
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Isasi_SSIOD3_2000_585.cif
_cod_data_source_block           Fe1Na2O12P3Ti1
_cod_original_cell_volume        951.8927
_cod_original_formula_sum        'Fe1 Na2 O12 P3 Ti1'
_cod_database_code               1526446
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
z,x,y
-z+1/2,-x,y+1/2
z+1/2,-x+1/2,-y
-z,x+1/2,-y+1/2
y,z,x
y+1/2,-z+1/2,-x
-y,z+1/2,-x+1/2
-y+1/2,-z,x+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
Na1 Na+1 0.961 0.961 0.961 1 0.0
Ti1 Ti+4 0.394 0.394 0.394 1 0.0
Fe1 Fe+3 0.665 0.665 0.665 1 0.0
O3 O-2 0.49 0.566 0.331 1 0.0
O4 O-2 0.55 0.741 0.506 1 0.0
O1 O-2 0.615 0.835 0.744 1 0.0
Na2 Na+1 0.184 0.184 0.184 1 0.0
P1 P+5 0.477 0.707 0.377 1 0.0
O2 O-2 0.447 0.302 0.23 1 0.0
