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#$Date: 2015-10-13 16:40:02 +0300 (Tue, 13 Oct 2015) $
#$Revision: 167189 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/71/2107150.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2107150
loop_
_publ_author_name
'Santoro, A.'
'Roth, R.S.'
'Austin, M.'
_publ_section_title
;
 Powder neutron diffraction study of the nonstoichiometric solid solution
 of lithium tantalate (Li Ta O3)9 (Ta2 O5)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1094
_journal_page_last               1098
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'Li5.04 O17.92 Ta6.16'
_chemical_name_systematic        '((Li Ta O3)9 Ta2 O5)0.56'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.1576
_cell_length_b                   5.1576
_cell_length_c                   13.7842
_cell_volume                     317.547
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Santoro_ACBCAR_1982_1740.cif
_cod_data_source_block           Li5.04O17.92Ta6.16
_cod_original_cell_volume        317.5466
_cod_database_code               2107150
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
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
Li3 Li 0 0 0.62 0.033 0.0
Ta2 Ta 0 0 0.5 1 0.0
O2 O 0.6593 0.9502 0.572 1 0.0
Ta4 Ta 0 0 0.773 0.033 0.0
Ta3 Ta 0 0 0.273 0.033 0.0
Ta1 Ta 0 0 0 1 0.0
Li2 Li 0 0 0.7765 0.833 0.0
O1 O 0.0498 0.3407 0.072 1 0.0
Li1 Li 0 0 0.2765 0.833 0.0
