#------------------------------------------------------------------------------
#$Date: 2015-07-13 22:11:47 +0300 (Mon, 13 Jul 2015) $
#$Revision: 150876 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/85/1528511.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_1528511
loop_
_publ_author_name
'Garra, W.'
'Marchetti, F.'
'Merlino, S.'
_publ_section_title
;
 Tb/Na tobermorite: thermal behaviour and high temperature products
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1529
_journal_page_last               1532
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'Na0.5 O13 Si3 Tb4.5'
_chemical_name_systematic        'Na0.5 Tb4.5 (Si O4)3 O'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.39199
_cell_length_b                   9.39199
_cell_length_c                   6.84041
_cell_volume                     522.550
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Garra_JSSCBI_2009_1747.cif
_cod_data_source_block           Na0.5O13Si3Tb4.5
_cod_original_cell_volume        522.5502
_cod_database_code               1528511
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
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
Si1 Si+4 0.3985 0.025 0.75 1 0.0
O3 O-2 0 0 0.75 1 0.0
Tb1 Tb+3 0.2323 0.2395 0.75 1 0.0
O4 O-2 0.6 0.128 0.75 1 0.0
O1 O-2 0.325 -0.172 0.75 1 0.0
O2 O-2 0.3357 0.0862 0.566 1 0.0
Tb2 Tb+3 0.3333 0.6667 0.5029 0.787 0.0
