#------------------------------------------------------------------------------
#$Date: 2012-02-28 16:44:07 +0100 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/00/9010008.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_9010008
loop_
_publ_author_name
'Taxer, K.'
'Bartl, H.'
_publ_section_title
;
 On the dimorphy between the variscite and clinovariscite group: refined
 finestructural relationship of strengite and clinostrengite, Fe(PO4)*2H2O
 Locality: Kreuzberg, Pleystein, Barvaria
;
_journal_name_full               'Crystal Research and Technology'
_journal_page_first              1080
_journal_page_last               1088
_journal_volume                  39
_journal_year                    2004
_chemical_formula_sum            'Fe H4 O6 P'
_chemical_name_mineral           Strengite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.54
_cell_angle_gamma                90
_cell_length_a                   5.335
_cell_length_b                   9.808
_cell_length_c                   8.720
_cell_volume                     456.260
_exptl_crystal_density_diffrn    2.720
_[local]_cod_chemical_formula_sum_orig 'Fe P O6 H4'
_cod_database_code               9010008
_amcsd_database_code             AMCSD#0013672
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-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
_atom_site_U_iso_or_equiv
Fe 0.09162 0.82617 0.19174 0.00530
P -0.08680 0.14919 0.18397 0.00540
O1 -0.20100 0.70580 0.21690 0.01080
O2 -0.11630 -0.00660 0.16980 0.00890
O3 0.33440 0.67760 0.23540 0.01230
O4 0.09430 0.78130 -0.02670 0.01330
O5 0.41220 0.36550 0.07240 0.02700
O6 0.39130 0.95130 0.18270 0.02700
H1 -0.05100 0.45300 0.33020 0.02000
H2 0.28500 0.33500 0.02190 0.02000
H3 0.14600 0.53300 0.29250 0.02000
H4 0.53700 0.34800 0.01360 0.02000