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#$Date: 2015-09-09 23:50:21 +0300 (Wed, 09 Sep 2015) $
#$Revision: 155784 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/06/1530646.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_1530646
loop_
_publ_author_name
'Rochere, M.'
'Kahn, A.'
'd'Yvoire, F.'
'Bretey, E.'
_publ_section_title
;
 Crystal Structure and Cation Transport Properties of the
 Ortho-Diphosphates Na7 (M P2 O7)4 P O4 (M=Al,Cr,Fe)
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              27
_journal_page_last               34
_journal_volume                  20
_journal_year                    1985
_chemical_formula_sum            'Fe4 Na7 O32 P9'
_chemical_name_systematic        'Na7 Fe4 (P2 O7)4 P O4'
_space_group_IT_number           114
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.105
_cell_length_b                   14.105
_cell_length_c                   6.378
_cell_volume                     1268.910
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Rochere_MRBUAC_1985_1173.cif
_cod_data_source_block           Fe4Na7O32P9
_cod_original_cell_volume        1268.91
_cod_database_code               1530646
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,-y+1/2,-z+1/2
-y+1/2,-x+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
y+1/2,x+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
O7 O-2 0.5688 0.905 0.5797 1 0.0
O1 O-2 0.4399 0.5646 0.3556 1 0.0
P1 P+5 0.5557 0.8009 0.6068 1 0.0
O2 O-2 0.3592 0.681 0.6858 1 0.0
P2 P+5 0.3872 0.749 0.8595 1 0.0
O5 O-2 0.648 0.7544 0.67 1 0.0
Na2 Na+1 0.4849 0.9836 0.3309 0.5 0.0
O8 O-2 0.4906 0.7864 0.8113 1 0.0
P3 P+5 0.5 0.5 0.5 1 0.0
O3 O-2 0.5074 0.7505 0.426 1 0.0
Fe1 Fe+3 0.3805 0.6906 0.3742 1 0.0
Na1 Na+1 0.5928 0.7572 0.1102 1 0.0
O6 O-2 0.3266 0.8358 0.8774 1 0.0
Na3 Na+1 0.5 0.5 0 1 0.0
O4 O-2 0.4013 0.6925 0.0607 1 0.0
