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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/74/9007469.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_9007469
loop_
_publ_author_name
'Kleber, W.'
'Liebau, F.'
'Piatkowiak, E.'
_publ_section_title
;
 Zur struktur des phosphophyllits, Zn2Fe[PO4]2*4H2O
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              795
_journal_page_last               795
_journal_paper_doi               10.1107/S0365110X61002369
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'Fe H8 O12 P2 Zn2'
_chemical_name_mineral           Phosphophyllite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 120.25
_cell_angle_gamma                90
_cell_length_a                   10.23
_cell_length_b                   5.08
_cell_length_c                   10.49
_cell_volume                     470.919
_database_code_amcsd             0009263
_exptl_crystal_density_diffrn    3.164
_cod_original_formula_sum        'Fe Zn2 P2 O12 H8'
_cod_database_code               9007469
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,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe 0.00000 0.00000 0.00000
Zn 0.50000 0.78000 0.14800
P 0.31700 0.21000 0.00000
O1 0.15900 0.34000 0.46700
O2 0.34400 0.50000 0.01900
O3 0.33300 0.46000 0.39000
O4 0.41500 0.11000 0.15500
Wat1 0.00200 0.33000 0.12900
Wat2 0.18300 0.17000 0.18800