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#$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $
#$Revision: 86000 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/43/9014345.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_9014345
loop_
_publ_author_name
'Rastsvetaeva, R. K.'
'Tamazyan, R. A.'
'Pushcharovskii D Yu'
'Nadezhina, T. N.'
'Voloshin, A. V.'
_publ_section_title
;
 K-nenadkevichite, a new representative of the nenadkevichite-labuntsovite series
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              908
_journal_page_last               914
_journal_volume                  39
_journal_year                    1994
_chemical_compound_source        'Vuoriyarvi, Kola Peninsula'
_chemical_formula_sum            'H10.3 K2.98 Na1.22 Nb2.2 O31.15 Si8 Ti1.8'
_chemical_name_mineral           Vuoriyarvite
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.87
_cell_angle_gamma                90
_cell_length_a                   14.692
_cell_length_b                   14.164
_cell_length_c                   7.859
_cell_volume                     1445.745
_database_code_amcsd             0019135
_exptl_crystal_density_diffrn    2.684
_[local]_cod_chemical_formula_sum_orig
'Si8 (Nb2.2 Ti1.8) K2.98 Na1.22 O31.15 H10.3'
_cod_database_code               9014345
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Si1 0.21700 0.89200 0.78000 1.00000 0.01773
Si2 0.69180 0.89160 0.73600 1.00000 0.02153
Si3 0.80550 0.89010 0.18600 1.00000 0.01140
Si4 0.32870 0.89140 0.23000 1.00000 0.01140
Nb1 0.00000 0.76910 0.50000 0.60000 0.00608
Ti1 0.00000 0.76910 0.50000 0.40000 0.00608
Nb2 0.74340 0.74800 0.46440 0.50000 0.00608
Ti2 0.74340 0.74800 0.46440 0.50000 0.00608
K1 0.50010 0.81940 0.98300 0.76000 0.04686
K2 0.43200 0.00000 0.70500 0.53000 0.07092
K3 0.91000 0.00000 0.64900 0.44000 0.03926
K4 0.08100 0.00000 0.28800 0.49000 0.04179
Na1 0.00900 0.00000 0.46800 0.58000 0.06333
Na2 0.79600 0.00000 0.53000 0.39000 0.08486
Na3 0.00600 0.00000 0.11000 0.25000 0.08866
O-H1 0.91100 0.76600 0.58600 1.00000 0.04939
O2 0.92500 0.87300 0.30800 1.00000 0.02153
O3 0.26800 0.86700 0.34100 1.00000 0.01520
O4 0.27400 0.82300 0.70200 1.00000 0.03800
O5 0.42900 0.82600 0.28500 1.00000 0.01393
O6 0.37500 0.00000 0.28000 1.00000 0.03546
O7 0.25100 0.87900 0.00300 1.00000 0.02533
O8 0.22700 0.00000 0.73000 1.00000 0.02913
O9 0.10400 0.76800 0.37200 1.00000 0.00633
O-H10 0.09200 0.87000 0.66500 1.00000 0.02786
O11 0.74700 0.86500 0.60100 1.00000 0.02153
O12 0.73200 0.82400 0.24500 1.00000 0.00887
O13 0.59100 0.82600 0.67200 1.00000 0.02913
O14 0.65600 0.00000 0.71100 1.00000 0.01646
O15 0.77100 0.87200 0.95600 1.00000 0.03293
O16 0.77700 0.00000 0.20400 1.00000 0.02153
Wat1 0.03000 0.87900 0.98100 0.56000 0.03293
Wat2 0.56400 0.00000 0.21000 0.61000 0.05066
Wat3 0.29900 0.00000 0.51000 0.32000 0.03800
Wat4 0.03600 0.82700 0.03000 0.37000 0.08866
Wat5 0.51400 0.00000 0.89000 0.36000 0.05066