#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/27/9012743.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_9012743
loop_
_publ_author_name
'Rastsvetaeva, R. K.'
'Evsyunin, V. G.'
'Kashaev, A. A.'
_publ_section_title
;
 Crystal structure of a new representative of ring silicates
;
_journal_name_full               'Doklady Chemistry'
_journal_page_first              49
_journal_page_last               51
_journal_volume                  340
_journal_year                    1995
_chemical_formula_sum            'Be4 Ca3 K2 Li0.25 Na3.75 O38 Si12 Ti2'
_chemical_name_mineral           Odintsovite
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.243
_cell_length_b                   13.045
_cell_length_c                   33.4839
_cell_formula_units_Z            8
_cell_volume                     6221.306
_database_code_amcsd             0012499
_exptl_crystal_density_diffrn    2.911
_cod_original_sg_symbol_H-M      'F d d d'
_cod_original_formula_sum        'K2 Na3.75 Ca3 Li.25 Ti2 Be4 Si12 O38'
_cod_database_code               9012743
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
3/4+x,-y,3/4+z
3/4+x,1/2-y,1/4+z
1/4+x,-y,1/4+z
1/4+x,1/2-y,3/4+z
3/4-x,y,3/4-z
3/4-x,1/2+y,1/4-z
1/4-x,y,1/4-z
1/4-x,1/2+y,3/4-z
-x,3/4+y,3/4+z
-x,1/4+y,1/4+z
1/2-x,3/4+y,1/4+z
1/2-x,1/4+y,3/4+z
x,3/4-y,3/4-z
x,1/4-y,1/4-z
1/2+x,3/4-y,1/4-z
1/2+x,1/4-y,3/4-z
3/4+x,3/4+y,-z
3/4+x,1/4+y,1/2-z
1/4+x,3/4+y,1/2-z
1/4+x,1/4+y,-z
3/4-x,3/4-y,z
3/4-x,1/4-y,1/2+z
1/4-x,3/4-y,1/2+z
1/4-x,1/4-y,z
-x,-y,-z
-x,1/2-y,1/2-z
1/2-x,-y,1/2-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_occupancy
_atom_site_U_iso_or_equiv
K 0.37500 0.87500 0.49270 1.00000 0.03926
Na1 0.51930 0.20760 0.37280 0.75000 0.02913
Ca1 0.51930 0.20760 0.37280 0.25000 0.02913
Na2 0.37500 0.87500 0.37500 0.75000 0.02280
Li2 0.37500 0.87500 0.37500 0.25000 0.02280
Ca 0.62500 0.62500 0.47980 1.00000 0.01786
Ti 0.37500 0.37500 0.41800 1.00000 0.01798
Be 0.52990 0.75760 0.41570 1.00000 0.02153
Si1 0.52370 0.97930 0.42260 1.00000 0.02001
Si2 0.42100 0.60870 0.54040 1.00000 0.01887
Si3 0.38140 0.61750 0.45090 1.00000 0.01912
O1 0.46210 0.37500 0.37500 1.00000 0.02026
O2 0.48050 0.86730 0.42150 1.00000 0.02660
O3 0.37640 0.71940 0.55380 1.00000 0.02406
O4 0.36660 0.52710 0.41940 1.00000 0.02660
O5 0.53170 0.62080 0.53780 1.00000 0.02280
O6 0.38990 0.51570 0.56830 1.00000 0.02026
O7 0.53760 0.03230 0.38020 1.00000 0.02786
O8 0.47940 0.67340 0.44390 1.00000 0.02660
O9 0.45780 0.05340 0.45020 1.00000 0.02660
O10 0.37900 0.57460 0.49680 1.00000 0.02406
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012499
