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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/45/9004506.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_9004506
loop_
_publ_author_name
'Ercit, T. S.'
'Cooper, M. A.'
'Hawthorne, F. C.'
_publ_section_title
;
 The crystal structure of vuonnemite, Na11TiNb2(Si2O7)2(PO4)2O3(F,OH),
 a phosphate-bearing sorosilicate of the lomonosovite group
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1311
_journal_page_last               1320
_journal_volume                  36
_journal_year                    1998
_chemical_compound_source        'Ilimaussaq, Greenland'
_chemical_formula_sum            'Na11 Nb2 O26 P2 Si4 Ti2'
_chemical_name_mineral           Vuonnemite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.60
_cell_angle_beta                 95.30
_cell_angle_gamma                90.60
_cell_length_a                   5.4984
_cell_length_b                   7.161
_cell_length_c                   14.450
_cell_formula_units_Z            1
_cell_volume                     565.878
_database_code_amcsd             0005581
_exptl_crystal_density_diffrn    3.300
_cod_original_formula_sum        'Si4 P2 Nb2 Ti2 Na11 O26'
_cod_database_code               9004506
loop_
_space_group_symop_operation_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
Si1 0.18415 0.21928 0.69712 ?
Si2 0.19844 0.79366 0.68464 ?
P 0.31392 0.25633 0.06638 ?
Nb 0.30112 0.49172 0.28387 ?
Ti 0.97235 0.00088 0.50786 0.00580
Na1 0.18320 0.98210 0.89970 ?
Na2 0.19530 0.50790 0.86600 ?
Na3 0.49450 0.24060 0.50100 ?
Na4 0.70530 0.99260 0.73580 ?
Na5 0.24930 0.73690 0.08030 ?
Na6 0.00000 0.50000 0.50000 ?
O1 0.43490 0.32350 0.74270 ?
O2 0.20360 0.00570 0.73500 ?
O3 0.16140 0.80170 0.57380 ?
O4 0.46020 0.70990 0.71900 ?
O5 0.05180 0.69640 0.25500 ?
O6 0.32310 0.51560 0.40570 ?
O7 0.25630 0.43040 0.13020 ?
O8 0.23690 0.07340 0.10810 ?
O9 0.16020 0.20940 0.58550 ?
O10 0.41180 0.74220 0.94340 ?
O11 0.17100 0.27450 0.97100 ?
O12 0.01730 0.31630 0.27220 ?
O13 0.26870 0.00240 0.42300 ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005581
