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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/21/9012127.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_9012127
loop_
_publ_author_name
'Gatehouse, B. M.'
'Negas, T.'
'Roth, R. S.'
_publ_section_title
;
 The crystal structure of M-LiTa3O8 and its relationship to the mineral
 wodginite
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               7
_journal_paper_doi               10.1016/0022-4596(76)90072-4
_journal_volume                  18
_journal_year                    1976
_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                 91.05
_cell_angle_gamma                90
_cell_length_a                   9.413
_cell_length_b                   11.522
_cell_length_c                   5.050
_cell_formula_units_Z            4
_cell_volume                     547.614
_database_code_amcsd             0013334
_exptl_crystal_density_diffrn    8.221
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'Li Ta3 O8'
_cod_database_code               9012127
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_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ta1 0.00230 0.00380 0.00360 0.00080 -0.00070 -0.00020
Ta2 0.00180 0.00290 0.00450 0.00000 0.00010 0.00000
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 0.80340 0.25000 ?
Ta1 0.24150 0.08640 0.24660 ?
Ta2 0.00000 0.32990 0.25000 ?
O1 0.35410 0.45160 0.44130 0.00785
O2 0.38460 0.17880 0.42700 0.00773
O3 0.13320 0.43750 0.07920 0.00608
O4 0.11850 0.19670 0.10690 0.00811
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013334
