#------------------------------------------------------------------------------
#$Date: 2010-04-10 19:37:29 +0100 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: svn://www.crystallography.net/cod/cif/9/9000265.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_9000265
loop_
_publ_author_name
'Moore, P. B.'
_publ_section_title
;
 Octahedral tetramer in the crystal structure of leucophosphite,
 K2[Fe4(OH)2(H2O)2(PO4)4].2H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              397
_journal_page_last               410
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'Fe2 H5 K O11 P2'
_chemical_name_mineral           Leucophosphite
_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                 102.24
_cell_angle_gamma                90
_cell_length_a                   9.782
_cell_length_b                   9.658
_cell_length_c                   9.751
_cell_volume                     900.280
_exptl_crystal_density_diffrn    2.905
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_274'
_[local]_cod_chemical_formula_sum_orig 'K Fe2 P2 O11 H5'
_cod_database_code               9000265
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
K 0.10100 0.19580 0.51710 0.02381
Fe1 0.36950 0.55120 0.39190 0.00329
Fe2 0.30970 0.22780 0.59690 0.00355
P1 0.35480 0.52850 0.70940 0.00532
P2 0.12870 0.32210 0.28940 0.00545
O1 0.30090 0.59350 0.56320 0.00874
O2 0.17530 0.12070 0.67440 0.00937
O3 0.48450 0.49290 0.26090 0.00861
O4 0.28380 0.38640 0.71620 0.00975
O5 0.15530 0.26870 0.43990 0.01203
O6 0.19520 0.46790 0.28540 0.00874
O7 0.30500 0.72750 0.30540 0.01115
O8 0.47100 0.16230 0.73510 0.01077
O-H9 0.43860 0.35680 0.49660 0.00697
Wat10 0.34320 0.04640 0.48910 0.01938
Wat11 0.53350 0.15310 0.31000 0.02292