#------------------------------------------------------------------------------
#$Date: 2016-10-29 11:18:25 +0300 (Sat, 29 Oct 2016) $
#$Revision: 187687 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/44/1544411.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_1544411
loop_
_publ_author_name
'Sata, M.'
'Kono, Y.'
'Jin, T.'
_publ_section_title
;
 Structural characterization and ion conductivity of MCa2NaNb4O13
 (M=Rb,Na) with four units of perovskite layer
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              980
_journal_page_last               984
_journal_volume                  101
_journal_year                    1993
_chemical_formula_sum            'Ca2 Na2 Nb4 O13'
_chemical_name_common            NaCa2NaNb4O13
_space_group_IT_number           139
_space_group_name_H-M_alt        'I 4/m m m'
_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                   3.8716(2)
_cell_length_b                   3.8716(2)
_cell_length_c                   36.9370(2)
_cell_volume                     553.66(4)
_cod_data_source_file            Na2Ca2Nb4O13.cif
_cod_data_source_block           NaCa2NaNb4O13
_cod_original_formula_sum        'Na2 Ca2 Nb4 O13'
_cod_database_code               1544411
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, -y, z'
'x, y, -z'
'-y, x, z'
'y, -x, -z'
'y, -x, z'
'-y, x, -z'
'-x, y, -z'
'x, -y, z'
'x, -y, -z'
'-x, y, z'
'y, x, -z'
'-y, -x, z'
'-y, -x, -z'
'y, x, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, -z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, y+1/2, -z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'y+1/2, x+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_B_iso_or_equiv
_atom_site_type_symbol
Na1 0.5000 0.500000 0.500000 0.250000 Biso 4.000000 Na
CaNa1 0.6667 0.000000 0.000000 0.3857(7) Biso 1.600000 Ca
CaNa1 0.3333 0.000000 0.000000 0.3857(7) Biso 1.600000 Na
CaNa2 0.6667 0.000000 0.000000 0.500000 Biso 4.000000 Ca
CaNa2 0.3333 0.000000 0.000000 0.500000 Biso 4.000000 Na
Nb1 1.0 0.000000 0.000000 0.0541(4) Biso 1.800000 Nb
Nb2 1.0 0.000000 0.000000 0.1680(2) Biso 1.000000 Nb
O1 1.0 0.000000 0.000000 0.000000 Biso 5.000000 O
O2 1.0 0.000000 0.500000 0.056(2) Biso 14.000000 O
O3 1.0 0.000000 0.000000 0.1040(10) Biso 1.000000 O
O4 1.0 0.000000 0.500000 0.1568(9) Biso 1.000000 O
O5 1.0 0.000000 0.000000 0.2180(10) Biso 5.000000 O
