#------------------------------------------------------------------------------
#$Date: 2015-07-10 15:11:44 +0300 (Fri, 10 Jul 2015) $
#$Revision: 142256 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/20/1522037.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_1522037
loop_
_publ_author_name
'Titov, Yu.A.'
'Sych, A.M.'
'Kapshuk, A.A.'
'Yashchuk, V.P.'
'Markiv, V.Ya.'
'Belyavina, N.M.'
_publ_section_title
;
 Heteroblock perovskite-like structure of La3 Ti2 Ta O11
;
_journal_name_full               'Dopov. Nats. Akad. Nauk. Ukr.'
_journal_page_first              148
_journal_page_last               152
_journal_volume                  2000
_journal_year                    2000
_chemical_formula_sum            'La3 O11 Ta1.08 Ti1.92'
_chemical_name_systematic        'La3 ((Ti1.92 Ta1.08) O11)'
_space_group_IT_number           26
_symmetry_space_group_name_Hall  'P 2c -2'
_symmetry_space_group_name_H-M   'P m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.916
_cell_length_b                   20.25
_cell_length_c                   5.586
_cell_volume                     442.964
_citation_journal_id_ASTM        DNAUFL
_cod_data_source_file            Titov_DNAUFL_2000_1074.cif
_cod_data_source_block           La3O11Ta1.08Ti1.92
_cod_original_cell_volume        442.9642
_cod_database_code               1522037
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,y,z
x,-y,z+1/2
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
Ti1 Ti+3 0 0.2961 0.725 0.76 0.0
O7 O-2 0.5 0.138 0.443 1 0.0
O4 O-2 0 0.335 0.096 1 0.0
La3 La+3 0.5 0.4377 0.696 1 0.0
Ti3 Ti+3 0.5 0.0598 0.219 0.28 0.0
O9 O-2 0.5 0.279 0.841 1 0.0
O3 O-2 0 0.397 0.577 1 0.0
O5 O-2 0 0.487 0.93 1 0.0
O11 O-2 0 0.056 0.346 1 0.0
Ta1 Ta+5 0 0.2961 0.725 0.24 0.0
O1 O-2 0 0.228 0.942 1 0.0
Ta3 Ta+5 0.5 0.0598 0.219 0.72 0.0
O2 O-2 0 0.241 0.455 1 0.0
O10 O-2 0.5 0.45 0.258 1 0.0
La1 La+3 0 0.1113 0.75 1 0.0
O8 O-2 0.5 0.113 0.947 1 0.0
O6 O-2 0.5 0.009 0.508 1 0.0
La2 La+3 0.5 0.239 0.259 1 0.0
Ta2 Ta+5 0 0.433 0.195 0.12 0.0
Ti2 Ti+3 0 0.433 0.195 0.88 0.0
