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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/25/9012513.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9012513
loop_
_publ_author_name
'Corbin, D. R.'
'Whitney, J. F.'
'Fultz, W. C.'
'Stucky, G. D.'
'Eddy, M. M.'
'Cheetham, A. K.'
_publ_section_title
;
 Synthesis of open-framework transition-metal phosphates using organometallic
 precursors in acidic media. Preparation and structural characterization of
 Fe5P4O20H10 and NaFe3P3O12
 Note: structure from ICSD
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2279
_journal_page_last               2280
_journal_paper_doi               10.1021/ic00234a001
_journal_volume                  25
_journal_year                    1986
_chemical_formula_sum            'Fe5 H6 O20 P4'
_chemical_name_mineral           Giniite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.23
_cell_angle_gamma                90
_cell_length_a                   17.4920
_cell_length_b                   9.038
_cell_length_c                   9.349
_cell_formula_units_Z            4
_cell_volume                     1469.280
_database_code_amcsd             0012694
_exptl_crystal_density_diffrn    3.296
_cod_original_formula_sum        'Fe5 P4 O20 H6'
_cod_database_code               9012513
_amcsd_formula_title             Fe5P4O20H10
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Fe1 0.50000 0.59840 0.25000 ?
Fe2 0.31640 0.08846 0.18716 ?
Fe3 0.32579 0.47315 0.12958 ?
P1 0.41750 0.31980 0.41000 ?
P2 0.33920 0.75820 0.36880 ?
O1 0.42480 0.76330 0.33800 ?
O9 0.24080 0.57500 -0.03220 ?
O2 0.42240 0.43210 0.28970 ?
O3 0.48980 0.21570 0.41990 ?
O4 0.41650 0.39330 0.55750 ?
O5 0.34580 0.22440 0.36890 ?
O6 0.33550 0.72960 0.53200 ?
O7 0.42010 -0.00550 0.15170 ?
O8 0.29740 0.63190 0.28090 ?
O10 0.29840 0.90450 0.32610 ?
H1 0.46080 0.05000 0.13600 0.06966
H2 0.44260 -0.08400 0.22600 0.08739
H3 0.23400 0.68400 0.00400 0.21151
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012694
