#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002501.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_9002501
loop_
_publ_author_name
'Subbotin, V. V.'
'Merlino, S.'
'Pushcharovsky, D. Y.'
'Pakhomovsky, Y. A.'
'Ferro, O.'
'Bogdanova, A. N.'
'Voloshin, A. V.'
'Sorokhtina, N. V.'
'Zubkova, N. V.'
_publ_section_title
;
 Tumchaite Na2(Zr,Sn)Si4O11.2H2O - a new mineral from carbonatites of the
 Vuoriyarvi alkali-ultrabasic massif, Murmansk Region, Russia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1516
_journal_page_last               1520
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'H4 Na2 O13 Si4 Sn0.2 Zr0.8'
_chemical_name_mineral           Tumchaite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.22
_cell_angle_gamma                90
_cell_length_a                   9.144
_cell_length_b                   8.818
_cell_length_c                   7.537
_cell_volume                     558.495
_exptl_crystal_density_diffrn    2.777
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_2589'
_[local]_cod_chemical_formula_sum_orig '(Zr.8 Sn.2) Si4 Na2 O13 H4'
_cod_database_code               9002501
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-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_occupancy
_atom_site_U_iso_or_equiv
Zr 0.00000 0.50000 0.00000 0.80000 0.00760
Sn 0.00000 0.50000 0.00000 0.20000 0.00760
Si1 0.16690 0.15820 0.19930 1.00000 0.00930
Si2 0.31760 0.44210 0.41240 1.00000 0.00930
Na 0.20510 0.68840 0.71090 1.00000 0.02430
O1 0.31480 0.26590 0.34540 1.00000 0.01290
O2 0.11640 0.03460 0.31870 1.00000 0.01260
O3 0.02600 0.26760 0.06600 1.00000 0.01310
O4 0.24710 0.05430 0.07910 1.00000 0.01310
O5 0.21450 0.54250 0.22990 1.00000 0.01200
O6 0.50000 0.00000 0.00000 1.00000 0.01570
OW 0.37090 0.69210 0.03710 1.00000 0.03170
H1 0.49800 0.68400 0.07500 1.00000 0.05000
H2 0.35200 0.60200 0.09000 1.00000 0.05000