#------------------------------------------------------------------------------
#$Date: 2015-07-12 19:55:05 +0300 (Sun, 12 Jul 2015) $
#$Revision: 147660 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/64/1526468.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_1526468
loop_
_publ_author_name
'Schaak, R.E.'
'Mallouk, T.E.'
_publ_section_title
;
 Synthesis, proton exchange, and topochemical dehydration of new
 Ruddlesden-Popper tantalates and titanotantalates
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              46
_journal_page_last               54
_journal_volume                  155
_journal_year                    2000
_chemical_formula_sum            'Ca1.1 K2.18 Na1.12 O9.54 Ta2.93'
_chemical_name_systematic        'K2.18 Ca1.1 Na1.12 Ta2.93 O9.54'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.9185
_cell_length_b                   3.9185
_cell_length_c                   29.519
_cell_volume                     453.254
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Schaak_JSSCBI_2000_74.cif
_cod_data_source_block           Ca1.1K2.18Na1.12O9.54Ta2.93
_cod_original_cell_volume        453.2537
_cod_database_code               1526468
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,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
O2 O-2 0 0 0.071 0.96 0.0
Na1 Na+1 0 0 0.4229 0.56 0.0
K1 K+1 0 0 0.2904 1.09 0.0
Ca1 Ca+2 0 0 0.4229 0.55 0.0
O1 O-2 0 0.5 0 0.94 0.0
Ta1 Ta+4 0 0 0 1.01 0.0
O4 O-2 0 0 0.2001 0.99 0.0
O3 O-2 0 0.5 0.134 0.94 0.0
Ta2 Ta+4 0 0 0.1375 0.96 0.0
