#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/70/9017024.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_9017024
loop_
_publ_author_name
'Chakhmourdian, A. R.'
'Cooper, M. A.'
'Ball, N.'
'Reguir, E. P.'
'Medici, L.'
'Abdu, Y. A.'
'Antonov, A. A.'
_publ_section_title
;
 Vladykinite, Na3Sr4(Fe2+Fe3+)Si8O24: A new complex sheet silicate from peralkaline
 rocks of the Murun complex, eastern Siberia, Russia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              235
_journal_page_last               241
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        'Murun complex, eastern Siberia, Russia'
_chemical_formula_sum
'Al0.12 Ca0.55 Ce0.01 Fe1.41 K0.04 La0.02 Mg0.05 Mn0.26 Na2.45 O24 Si8 Sr3.84 Ti0.01 Zn0.16'
_chemical_name_mineral           Vladykinite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.3556
_cell_angle_gamma                90
_cell_length_a                   5.21381
_cell_length_b                   7.9143
_cell_length_c                   26.0888
_cell_formula_units_Z            2
_cell_volume                     1076.499
_database_code_amcsd             0020023
_exptl_crystal_density_diffrn    3.510
_cod_data_source_file            inputs/fixed/downloads/05/05655.cif
_cod_data_source_block           05655
_cod_original_formula_sum
'Na2.45 Ca.55 Sr3.84 K.04 La.02 Ce.01 Fe1.41 Mn.26 Zn.16 Al.12 Mg.05 Ti.01 Si8 O24'
_cod_database_code               9017024
loop_
_space_group_symop_operation_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
Na1 0.50000 0.50000 0.50000 1.00000 0.02780
Na2 0.48483 0.44221 0.63351 0.72500 0.02100
Ca2 0.48483 0.44221 0.63351 0.27500 0.02100
Sr1 0.49578 0.90294 0.57005 1.00000 0.01107
Sr2 0.50609 0.58890 0.77700 0.92000 0.01184
K2 0.50609 0.58890 0.77700 0.02000 0.01184
La2 0.50609 0.58890 0.77700 0.01000 0.01184
Ce2 0.50609 0.58890 0.77700 0.00500 0.01184
Fe2+ 0.00453 0.75589 0.67545 0.37500 0.01134
Fe3+ 0.00453 0.75589 0.67545 0.33000 0.01134
Mn 0.00453 0.75589 0.67545 0.13000 0.01134
Zn 0.00453 0.75589 0.67545 0.08000 0.01134
Al 0.00453 0.75589 0.67545 0.06000 0.01134
Mg 0.00453 0.75589 0.67545 0.02500 0.01134
Ti 0.00453 0.75589 0.67545 0.00500 0.01134
Si1 0.94527 0.39083 0.71424 1.00000 0.01073
Si2 0.95867 0.10612 0.63401 1.00000 0.01018
Si3 0.05166 0.23197 0.53140 1.00000 0.00944
Si4 0.02973 0.60042 0.56752 1.00000 0.00895
O1 0.24940 0.39304 0.71818 1.00000 0.01750
O2 0.80520 0.56879 0.70091 1.00000 0.01800
O3 0.79630 0.32075 0.76480 1.00000 0.01700
O4 0.84110 0.26336 0.66773 1.00000 0.01690
O5 0.74120 0.58495 0.86101 1.00000 0.02090
O6 0.79210 -0.05618 0.65173 1.00000 0.01610
O7 0.86480 0.14346 0.57432 1.00000 0.01380
O8 0.28520 0.11891 0.51492 1.00000 0.01550
O9 0.15520 0.41060 0.55787 1.00000 0.01310
O10 0.13580 0.71048 0.51702 1.00000 0.01300
O11 0.72750 0.60334 0.57060 1.00000 0.01400
O12 0.18810 0.67881 0.61515 1.00000 0.01450
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020023
