#------------------------------------------------------------------------------
#$Date: 2015-07-10 13:40:23 +0200 (vie 10 de jul de 2015) $
#$Revision: 142110 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/18/1521894.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_1521894
loop_
_publ_author_name
'Schmid-Beurmann, P.'
_publ_section_title
;
 Synthesis and phase characterization of a solid solution series between
 beta-(Fe2 (P O4) O) and Fe4 (P O4)3 (O H)3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              237
_journal_page_last               247
_journal_volume                  153
_journal_year                    2000
_chemical_formula_sum            'Fe3.44 O10 P1.98'
_chemical_name_systematic        'Fe3.44 (P O4)1.98 O2.08'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3053
_cell_length_b                   5.3053
_cell_length_c                   12.662
_cell_volume                     356.387
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Schmid-Beurmann_JSSCBI_2000_1963.cif
_cod_data_source_block           Fe3.44O10P1.98
_cod_original_cell_volume        356.3873
_cod_database_code               1521894
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/4,x+3/4,z+1/4
-x+1/2,-y,z+1/2
y+1/4,-x+1/4,z+3/4
x,-y,-z
y+1/4,x+3/4,-z+1/4
-x+1/2,y,-z+1/2
-y+1/4,-x+1/4,-z+3/4
-x,-y,-z
y-1/4,-x-3/4,-z-1/4
x-1/2,y,-z-1/2
-y-1/4,x-1/4,-z-3/4
-x,y,z
-y-1/4,-x-3/4,z-1/4
x-1/2,-y,z-1/2
y-1/4,x-1/4,z-3/4
x+1/2,y+1/2,z+1/2
-y+3/4,x+5/4,z+3/4
-x+1,-y+1/2,z+1
y+3/4,-x+3/4,z+5/4
x+1/2,-y+1/2,-z+1/2
y+3/4,x+5/4,-z+3/4
-x+1,y+1/2,-z+1
-y+3/4,-x+3/4,-z+5/4
-x+1/2,-y+1/2,-z+1/2
y+1/4,-x-1/4,-z+1/4
x,y+1/2,-z
-y+1/4,x+1/4,-z-1/4
-x+1/2,y+1/2,z+1/2
-y+1/4,-x-1/4,z+1/4
x,-y+1/2,z
y+1/4,x+1/4,z-1/4
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 0 0.5 0.86 0.0
O1 O-2 0 0.498 0.806 1 0.0
P1 P+5 0 0.75 0.125 0.99 0.0
O2 O-2 0 0.25 0.375 1 0.0
