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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/9/00/56/9005622.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_9005622
loop_
_publ_author_name
'Krivovichev, S. V.'
'Armbruster, T.'
'Yakovenchuk, V. N.'
'Pakhomovsky, Y. A.'
'Men'shikov, Y. P.'
_publ_section_title
;
 Crystal structures of lamprophyllite-2M and lamprophyllite-2O
 from the Lovozero alkaline massif, Kola peninsula, Russia
 Note: displacement factors have been altered by Krivovichev, November 2003
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              711
_journal_page_last               718
_journal_paper_doi               10.1127/0935-1221/2003/0015-0711
_journal_volume                  15
_journal_year                    2003
_chemical_compound_source
'Lovozero alkaline massif, Kola peninsula, Russia'
_chemical_formula_sum            'Na3 O18 Si4 Sr2 Ti3'
_chemical_name_mineral           Lamprophyllite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.797
_cell_angle_gamma                90
_cell_length_a                   19.215
_cell_length_b                   7.061
_cell_length_c                   5.3719
_cell_formula_units_Z            2
_cell_volume                     723.721
_database_code_amcsd             0007012
_exptl_crystal_density_diffrn    3.617
_cod_original_formula_sum        'Ti3 Si4 Na3 Sr2 O18'
_cod_database_code               9005622
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
-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_U_iso_or_equiv
Ti(1) 0.15057 0.00000 0.70775 0.00560
Ti(2) 0.00000 0.50000 0.00000 0.02460
Si 0.14390 0.28459 0.20490 0.00780
Na(1) 0.00000 0.25900 0.50000 0.01020
Na(2) 0.00000 0.00000 0.00000 0.01740
Sr 0.28418 0.00000 0.26213 0.01530
O(1) 0.44250 0.00000 0.27580 0.01690
O(2) 0.17480 0.18890 0.46740 0.01550
O(3) 0.17532 0.18750 0.97120 0.01430
O(4) 0.17770 0.50000 0.22000 0.01130
O(5) 0.05951 0.29650 0.17250 0.01270
O(6) 0.06230 0.00000 0.66770 0.02000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007012
