#------------------------------------------------------------------------------
#$Date: 2019-05-13 11:33:30 +0200 (lun 13 de may de 2019) $
#$Revision: 215053 $
#$URL: svn://www.crystallography.net/cod/cif/1/55/10/1551022.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_1551022
loop_
_publ_author_name
'Hinatsu, Y.'
'Doi, Y.'
_publ_section_title
;
 Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln
 = Nd, Eu) with fluorite-related structure
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              273
_journal_page_last               278
_journal_volume                  127
_journal_year                    2019
_chemical_formula_sum            'Nd3 O7 Ta'
_chemical_name_common            'Nd3TaO7 at 600 K'
_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                   7.6508(4)
_cell_length_b                   10.9308(5)
_cell_length_c                   7.5403(5)
_cell_volume                     630.59(6)
_diffrn_ambient_temperature      600
_cod_data_source_file            Nd3TaO7-600K.cif
_cod_data_source_block           Nd3TaO7-600K
_cod_original_formula_sum        'Nd3 Ta O7'
_cod_database_code               1551022
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_B_iso_or_equiv
_atom_site_type_symbol
Nd1 1.0 0.9987(4) 0.250000 0.7433(13) Biso 1.78(5) Nd
Nd2 1.0 0.2499(21) 0.4792(3) 0.4573(4) Biso 1.78 Nd
Ta 1.0 0.0038(23) 0.250000 0.2482(13) Biso 1.27(14) Ta
O1 1.0 0.966(4) 0.383(3) 0.416(6) Biso 1.30(30) O
O2 1.0 0.973(6) 0.871(4) 0.951(5) Biso 1.30 O
O3 1.0 0.251(11) 0.381(3) 0.726(4) Biso 1.30 O
O4 1.0 0.241(6) 0.250000 0.300(5) Biso 1.30 O
