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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/18/9011895.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_9011895
loop_
_publ_author_name
'Belov, N. V.'
'Gavrilova, G. S.'
'Solov'eva, L. P.'
'Khalilov, A. D.'
_publ_section_title
;
 The refined structure of lomonosovite
;
_journal_name_full               'Soviet Physics Doklady'
_journal_page_first              422
_journal_page_last               424
_journal_volume                  22
_journal_year                    1977
_chemical_formula_sum            'Na5 O13 P Si2 Ti2'
_chemical_name_mineral           Lomonosovite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101
_cell_angle_beta                 96
_cell_angle_gamma                90
_cell_length_a                   5.49
_cell_length_b                   7.11
_cell_length_c                   14.50
_cell_formula_units_Z            2
_cell_volume                     552.434
_database_code_amcsd             0015603
_exptl_crystal_density_diffrn    3.041
_cod_original_formula_sum        'Na5 Ti2 Si2 P O13'
_cod_database_code               9011895
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
Na1 0.16900 0.41800 0.23490 0.02090
Na2 0.75700 0.88200 -0.00370 0.02672
Na3 0.68200 0.97300 0.35970 0.01191
Na4 0.67700 0.45900 0.39750 0.02419
Na5 0.23900 0.73800 0.41480 0.02229
Ti1 0.16580 0.92710 0.21780 0.00076
Ti2 0.76980 0.38650 -0.00760 0.00545
Si1 0.66710 0.20310 0.17640 0.00798
Si2 0.64870 0.63870 0.19850 0.00709
P 0.18010 0.22420 0.43270 0.00988
O1 0.67100 0.43000 0.23200 0.01229
O2 0.64200 0.19700 0.06600 0.01798
O3 0.92500 0.12000 0.21300 0.02432
O4 0.43200 0.10300 0.20900 0.02571
O5 0.59800 0.60900 0.08400 0.01406
O6 0.90400 0.75300 0.24700 0.01748
O7 0.41300 0.73400 0.25000 0.01545
O8 0.13200 0.83100 0.09100 0.01748
O9 0.23500 0.03400 0.36800 0.01672
O10 0.09200 0.42600 0.07100 0.01431
O11 0.90100 0.22500 0.44300 0.02419
O12 0.25000 0.40000 0.39100 0.02090
O13 0.32600 0.22800 0.53000 0.01798
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015603
