#------------------------------------------------------------------------------
#$Date: 2012-02-28 16:44:07 +0100 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/00/9010007.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_9010007
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
 Note: x(O3) corrected to match reported bond lengths
;
_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           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.722
_cell_length_b                   9.878
_cell_length_c                   10.1187
_cell_volume                     871.786
_exptl_crystal_density_diffrn    2.847
_[local]_cod_chemical_formula_sum_orig 'Fe P O6 H4'
_cod_database_code               9010007
_amcsd_database_code             AMCSD#0013671
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,y,1/2-z
1/2-x,-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 0.15163 0.32927 0.13285 0.00600
P 0.03169 0.64545 0.14834 0.00520
O1 0.00690 0.20510 0.21550 0.00990
O2 0.01580 0.49080 0.14880 0.00880
O3 0.30200 0.17970 0.11090 0.01050
O4 0.08090 0.29380 -0.04700 0.01070
O5 0.26520 0.88910 0.31260 0.01160
O6 0.33470 0.44700 0.06000 0.01470
H1 0.16900 0.90700 0.32000 0.04000
H2 0.35700 0.43300 -0.02200 0.04000
H3 0.28500 0.82800 0.37000 0.02000
H4 0.31200 0.53200 0.06200 0.04000