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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/01/1530113.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_1530113
loop_
_publ_author_name
'Kabalov, Yu.K.'
'Belov, N.V.'
'Simonov, M.A.'
_publ_section_title
;
 The crystal structure of sodium iron orthophosphate Na2 Fe (P O4) (O H)
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              850
_journal_page_last               853
_journal_volume                  215
_journal_year                    1974
_chemical_formula_sum            'Fe H Na2 O5 P'
_chemical_name_systematic        'Na2 Fe (P O4) (O H)'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.227
_cell_length_b                   13.861
_cell_length_c                   11.774
_cell_volume                     853.043
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Kabalov_DANKAS_1974_483.cif
_cod_data_source_block           H1Fe1Na2O5P1
_cod_original_cell_volume        853.0434
_cod_original_formula_sum        'H1 Fe1 Na2 O5 P1'
_cod_database_code               1530113
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x,y,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z-1/2
-x-1/2,y-1/2,z
x,-y,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
Fe1 Fe+2 0.226 0.01 0.174 1 0.0
Na2 Na+1 0.241 0.125 0.416 1 0.0
Na1 Na+1 0.263 0.245 0.172 1 0.0
O2 O-2 0.284 0.284 0.367 1 0.0
O3 O-2 0.089 0.395 0.103 1 0.0
O5 O-2 0 0.125 0.25 1 0.0
O6 O-2 0.5 0.099 0.25 1 0.0
O4 O-2 0.235 0.11 0.04 1 0.0
P1 P+5 0.202 0.382 0.412 1 0.0
O1 O-2 0.341 0.464 0.348 1 0.0
