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#$Date: 2015-10-10 05:18:30 +0200 (Sat 10 de Oct de 2015) $
#$Revision: 164651 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/67/1536786.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1536786
loop_
_publ_author_name
'Yamnova, N.A.'
'Pushcharovskii, D.Yu.'
'Voloshin, A.V.'
_publ_section_title
;
 Crystal structure of a new natural (Ba, Nb)-silicate
;
_journal_name_full               Kristallografiya
_journal_page_first              346
_journal_page_last               348
_journal_volume                  35
_journal_year                    1990
_chemical_formula_sum            'Ba3 Nb4.8 O25.4 Si4 Ti1.2'
_chemical_name_systematic        'Ba3 (Ti1.2 Nb4.8) (Si2 O7)2 O11.4'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.03
_cell_length_b                   9.03
_cell_length_c                   7.868
_cell_volume                     555.611
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Yamnova_KRISAJ_1990_976.cif
_cod_data_source_block           Ba3Nb4.8O25.4Si4Ti1.2
_cod_original_cell_volume        555.6105
_cod_database_code               1536786
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
y,x,z
x-y,-y,-z
-x,-x+y,z
y,x,-z
x-y,-y,z
-x,-x+y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ba1 Ba+2 0.6047 0 0.5 1 0.0
Si1 Si+4 0.3333 0.6667 0.196 1 0.0
O5 O-2 0.242 0 0.5 0.8 0.0
O4 O-2 0.487 0.18 0.293 1 0.0
O2 O-2 0.288 0 0 1 0.0
Nb1 Nb+5 0.2391 0 0.2383 0.8 0.0
O3 O-2 0.822 0 0.228 1 0.0
Ti1 Ti+4 0.2391 0 0.2383 0.2 0.0
O1 O-2 0.3333 0.6667 0 1 0.0
