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#$Date: 2015-09-08 23:50:10 +0300 (Tue, 08 Sep 2015) $
#$Revision: 155456 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/03/1530371.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_1530371
loop_
_publ_author_name
'Matveeva, R.G.'
'Ilyushchenko, L.S.'
'Varfolomeev, M.B.'
_publ_section_title
;
 Refinement of the composition and crystal structure of Ba3.75 Pr9.5 Ti18
 O54
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              31
_journal_page_last               34
_journal_volume                  29
_journal_year                    1984
_chemical_formula_sum            'Ba3.75 O54 Pr9.5 Ti18'
_chemical_name_systematic        'Ba3.75 Pr9.5 Ti18 O54'
_space_group_IT_number           32
_symmetry_space_group_name_Hall  'P 2 -2ab'
_symmetry_space_group_name_H-M   'P b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   22.36
_cell_length_b                   12.181
_cell_length_c                   3.832
_cell_volume                     1043.711
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Matveeva_ZNOKAQ_1984_1018.cif
_cod_data_source_block           Ba3.75O54Pr9.5Ti18
_cod_database_code               1530371
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z
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
O13 O-2 0.313 0.463 0.009 1 0.0
O5 O-2 0.018 0.372 0.022 1 0.0
O11 O-2 0.477 0.345 -0.015 1 0.0
Ba2 Ba+2 0.049 0.201 0.53 0.05 0.0
O12 O-2 0.404 0.056 -0.025 1 0.0
Ti2 Ti+4 0.434 0.197 0.056 1 0.0
Ti3 Ti+4 0.109 0.398 0.042 1 0.0
O4 O-2 0.277 0.326 0.504 1 0.0
Ba1 Ba+2 0.307 0.092 0.547 0.8 0.0
O10 O-2 0.361 0.265 0.041 1 0.0
O8 O-2 0.5 0.5 0.486 1 0.0
O1 O-2 0.153 0.107 0.536 1 0.0
Pr2 Pr+3 0.5 0 0.585 0.95 0.0
Ti1 Ti+4 0.5 0.5 0.077 1 0.0
O6 O-2 0.443 0.223 0.519 1 0.0
Ti5 Ti+4 0.262 0.338 0.066 1 0.0
O9 O-2 0.081 0.041 -0.053 1 0.0
Pr1 Pr+3 0.049 0.201 0.53 0.95 0.0
Ba4 Ba+2 0.379 0.406 0.561 0.05 0.0
Pr3 Pr+3 0.379 0.406 0.561 0.95 0.0
Ba3 Ba+2 0.5 0 0.585 0.05 0.0
O7 O-2 0.115 0.244 0.021 1 0.0
O14 O-2 0.104 0.485 0.487 1 0.0
O2 O-2 0.193 0.419 0.083 1 0.0
O3 O-2 0.241 0.179 -0.002 1 0.0
Ti4 Ti+4 0.165 0.117 0.048 1 0.0
