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#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007846.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_9007846
loop_
_publ_author_name
'Kamenar, B.'
'Kaitner, B.'
'Strukan, N.'
_publ_section_title
;
 Structure of potassium difluorooctamolybdate hexahydrate
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2249
_journal_page_last               2251
_journal_volume                  46
_journal_year                    1990
_chemical_formula_sum            'F H6 K3 Mo4 O16'
_chemical_name_mineral           K6[Mo8O26F2].6H2O
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                107.16
_cell_angle_beta                 95.77
_cell_angle_gamma                105.53
_cell_length_a                   10.497
_cell_length_b                   10.403
_cell_length_c                   8.001
_cell_volume                     788.896
_exptl_crystal_density_diffrn    3.292
_[local]_cod_chemical_formula_sum_orig 'Mo4 F O16 K3 H6'
_cod_database_code               9007846
_amcsd_database_code             AMCSD#0009935
loop_
_symmetry_equiv_pos_as_xyz
x,y,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
Mo1 0.48951 0.47980 0.27535 0.12060
Mo2 0.17756 0.24346 0.14397 0.17990
Mo3 0.50144 0.79143 0.60542 0.17920
Mo4 0.20806 0.56085 0.40707 0.19820
F 0.26980 0.19190 -0.05660 0.03510
O1 0.55570 0.41150 0.09490 0.02040
O2 0.05020 0.25910 0.00530 0.02910
O3 0.11570 0.08160 0.16600 0.03230
O4 0.44080 0.86280 0.79160 0.03160
O5 0.60310 0.93530 0.56770 0.02920
O6 0.15470 0.60900 0.60410 0.03710
O7 0.09270 0.57410 0.24950 0.03350
O8 0.56870 0.66340 0.34410 0.02220
O9 0.15010 0.35800 0.36340 0.01920
O10 0.34270 0.73810 0.42660 0.02300
O11 0.37370 0.27870 0.28620 0.01660
O12 0.31130 0.46430 0.18540 0.01610
O13 0.40330 0.55980 0.54020 0.01840
K1 0.48910 0.14830 0.82560 0.03470
K2 0.86460 0.11580 0.66260 0.03830
K3 0.17050 0.50600 0.89900 0.03670
Wat1 0.75780 0.19260 0.99390 0.04930
Wat2 0.12980 0.22630 0.62540 0.06410
Wat3 0.85060 0.08820 0.31090 0.06580