#------------------------------------------------------------------------------
#$Date: 2024-05-02 11:48:35 +0100 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/77/9007733.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_9007733
loop_
_publ_author_name
'Benchrifa, R.'
'Leblanc, M.'
'De Pape, R.'
_publ_section_title
;
 Structure of the trivanadate TlV3O8
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              177
_journal_page_last               179
_journal_paper_doi               10.1107/S010827018900627X
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     TlV3O8
_chemical_formula_sum            'O8 Tl V3'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.48
_cell_angle_gamma                90
_cell_length_a                   7.780
_cell_length_b                   8.423
_cell_length_c                   4.993
_cell_formula_units_Z            2
_cell_volume                     325.106
_exptl_crystal_density_diffrn    4.957
_cod_original_formula_sum        'Tl V3 O8'
_cod_database_code               9007733
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Tl1 0.05573 0.25000 0.94825 0.02938
V1 0.57550 0.25000 0.91740 0.00823
V2 0.68700 0.05400 0.43750 0.00861
O1 0.43050 0.25000 0.12070 0.01646
O2 0.75980 0.25000 0.59150 0.00975
O3 0.50560 0.08630 0.68740 0.01077
O4 0.16640 0.06640 0.43400 0.01811
O5 0.73770 0.09960 0.11460 0.01064
_cod_duplicate_entry 1000255