#------------------------------------------------------------------------------
#$Date: 2018-05-02 00:09:06 +0300 (Wed, 02 May 2018) $
#$Revision: 207609 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/93/1549364.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_1549364
loop_
_publ_author_name
'Nakamura, K.'
'Fujii, K.'
'Niwa, E.'
'Yashima, M.'
_publ_section_title
;
 Crystal structure and electrical conductivity of BaR2ZnO5 (R=Sm, Gd, Dy,
 Ho, and Er) - a new structure family of oxide-ion conductors
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              292
_journal_page_last               299
_journal_volume                  126
_journal_year                    2018
_chemical_formula_sum            'Ba O5 Sm2 Zn'
_chemical_name_common            BaSm2ZnO5
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.59242(8)
_cell_length_b                   5.81502(4)
_cell_length_c                   7.20736(5)
_cell_volume                     527.760(6)
_cod_data_source_file            BaSm2ZnO5.cif
_cod_data_source_block           BaSm2ZnO5
_cod_original_formula_sum        'Ba Sm2 Zn O5'
_cod_database_code               1549364
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x+1/2, -y, z+1/2'
'x+1/2, y, -z+1/2'
'-x, y+1/2, -z'
'x, -y+1/2, z'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
Ba1 1.0 0.90127(7) 0.250000 0.92451(13) Uiso 0.0067(2) Ba
Sm1 1.0 0.07447(6) 0.250000 0.39682(10) Uiso 0.00256(9) Sm
Sm2 1.0 0.29248(6) 0.250000 0.11891(11) Uiso 0.00256 Sm
Zn 1.0 0.64901(13) 0.250000 0.6908(2) Uiso 0.0055(4) Zn
O1 1.0 0.4356(5) -0.0082(10) 0.1679(7) Uiso 0.0063(8) O
O2 1.0 0.2248(5) 0.5021(10) 0.3562(9) Uiso 0.0063 O
O3 1.0 0.0999(7) 0.250000 0.0716(12) Uiso 0.0063 O
