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#$Date: 2022-09-14 18:21:52 +0300 (Wed, 14 Sep 2022) $
#$Revision: 277833 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/11/1001103.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_1001103
loop_
_publ_author_name
'Choisnet, J.'
'Nguyen, N.'
'Groult, D.'
'Raveau, B.'
_publ_section_title
;
 De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7:
 Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta)
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              887
_journal_page_last               894
_journal_paper_doi               10.1016/0025-5408(76)90160-4
_journal_volume                  11
_journal_year                    1976
_chemical_formula_structural     'Sr3 Ta6 Si4 O26'
_chemical_formula_sum            'O26 Si4 Sr3 Ta6'
_chemical_name_systematic        'Strontium tantalosilicate *'
_space_group_IT_number           189
_space_group_name_Hall           'P -6 -2'
_space_group_name_H-M_alt        'P -6 2 m'
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_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                   8.913
_cell_length_b                   8.913
_cell_length_c                   7.633
_cell_volume                     525.1
_exptl_crystal_density_diffrn    5.935
_exptl_crystal_density_meas      5.89
_refine_ls_R_factor_all          0.072
_cod_database_code               1001103
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
x,y,-z
-y,x-y,-z
y-x,-x,-z
y,x,z
x-y,-y,z
-x,y-x,z
y,x,-z
x-y,-y,-z
-x,y-x,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_U_iso_or_equiv
Sr1 Sr2+ 3 g 0.589 0. 0.5 1. 0 d 0.01494
Ta1 Ta5+ 6 i 0.242 0. 0.241 1. 0 d 0.00684
Si1 Si4+ 4 h 0.3333 0.6667 0.209 1. 0 d 0.02178
O1 O2- 2 c 0.3333 0.6667 0. 1. 0 d 0.00937
O2 O2- 3 f 0.307 0. 0. 1. 0 d 0.03724
O3 O2- 6 i 0.799 0. 0.246 1. 0 d 0.01013
O4 O2- 12 l 0.498 0.169 0.278 1. 0 d 0.00887
O5 O2- 3 g 0.212 0. 0.5 1. 0 d 0.03711
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
Ta5+ 5.000
Si4+ 4.000
O2- -2.000
