#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/60/9016041.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_9016041
loop_
_publ_author_name
'Santoro, A.'
'Roth, R. S.'
'Minor, D.'
_publ_section_title
;
 Neutron powder diffraction study of the intermediate-temperature form
 of lithium tantalate
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3945
_journal_page_last               3947
_journal_paper_doi               10.1107/S0567740877012540
_journal_volume                  33
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Li O8 Ta3'
_chemical_name_mineral           Lithiowodginite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.108
_cell_angle_gamma                90
_cell_length_a                   9.410
_cell_length_b                   11.521
_cell_length_c                   5.0506
_cell_formula_units_Z            4
_cell_volume                     547.446
_database_code_amcsd             0018738
_exptl_crystal_density_diffrn    8.223
_cod_original_formula_sum        'Li Ta3 O8'
_cod_database_code               9016041
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-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_U_iso_or_equiv
Li 0.00000 0.84530 0.25000 0.01646
Ta1 0.24190 0.08680 0.24850 0.00355
Ta2 0.00000 0.33280 0.25000 0.00355
O1 0.35360 0.45120 0.43860 0.00393
O2 0.38430 0.17950 0.42460 0.00393
O3 0.13310 0.43640 0.08260 0.00393
O4 0.11780 0.19620 0.10620 0.00393
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018738
