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#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/09/9010977.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_9010977
loop_
_publ_author_name
'Eversheim, P.'
'Kleber, W.'
_publ_section_title
;
 Morphologie und struktur des reddingits, P2O5*3FeO*3H2O
 Note: z(FeII) adjusted to match symmetry constraint
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              215
_journal_page_last               216
_journal_paper_doi               10.1107/S0365110X53000600
_journal_volume                  6
_journal_year                    1953
_chemical_formula_sum            'Fe3 H6 O11 P2'
_chemical_name_mineral           Phosphoferrite
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2bc 2c'
_symmetry_space_group_name_H-M   'P c m b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.73
_cell_length_b                   10.152
_cell_length_c                   9.57
_cell_volume                     848.160
_database_code_amcsd             0009153
_exptl_crystal_density_diffrn    3.223
_cod_original_formula_sum        'Fe3 P2 O11 H6'
_cod_database_code               9010977
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,1/2-z
-x,1/2-y,1/2+z
-x,y,1/2+z
x,-y,1/2-z
x,1/2-y,z
-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
FeI 0.22000 0.25000 0.50000
FeIIA 0.02500 0.00000 0.25000
FeIIB 0.52500 0.00000 0.25000
P1 0.18000 0.25000 0.16000
P2 0.68000 0.25000 0.16000
OIA 0.05700 0.25000 0.32000
OIB 0.55700 0.25000 0.32000
OIIA 0.34000 0.25000 0.27500
OIIB 0.84000 0.25000 0.27500
OIIIA 0.20000 0.12500 0.11500
OIIIB 0.70000 0.12500 0.11500
Wat7 0.17000 0.10000 0.45000
Wat8 0.50000 0.25000 0.50000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009153