#------------------------------------------------------------------------------
#$Date: 2019-05-13 11:34:15 +0200 (lun 13 de may de 2019) $
#$Revision: 215054 $
#$URL: svn://www.crystallography.net/cod/cif/1/55/10/1551023.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_1551023
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 orthorhombic phase'
_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                   7.661(1)
_cell_length_b                   10.9041(12)
_cell_length_c                   7.5009(7)
_cell_volume                     626.60(12)
_cod_data_source_file            Nd3TaO7-ortho.cif
_cod_data_source_block           Nd3TaO7-ortho
_cod_original_formula_sum        'Nd3 Ta O7'
_cod_database_code               1551023
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 0.9985(3) 0.250000 0.7274(34) Biso 0.34(4) Nd
Nd2 1.0 0.250(7) 0.4756(10) 0.4511(12) Biso 0.34 Nd
Ta 1.0 -0.0063(59) 0.250000 0.2478(34) Biso 0.51(8) Ta
O1 1.0 0.980(23) 0.359(18) 0.412(19) Biso 1.59(7) O
O2 1.0 0.991(26) 0.848(16) 0.992(28) Biso 1.59 O
O3 1.0 0.254(17) 0.393(3) 0.714(5) Biso 1.59 O
O4 1.0 0.247(44) 0.250000 0.306(5) Biso 1.59 O
