#------------------------------------------------------------------------------
#$Date: 2013-03-28 16:17:04 +0000 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/97/9009753.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9009753
loop_
_publ_author_name
'Santoro, A.'
'Marezio, M.'
'Roth, R. S.'
'Minor, D.'
_publ_section_title
;
 Neutron powder diffraction study of the
 structures of CeTaO4, CeNbO4, and NdTaO4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              167
_journal_page_last               175
_journal_volume                  35
_journal_year                    1980
_chemical_formula_structural     NdTaO4
_chemical_formula_sum            'Nd O4 Ta'
_chemical_name_mineral           NdTaO4
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.71
_cell_angle_gamma                90
_cell_length_a                   5.5115
_cell_length_b                   11.2320
_cell_length_c                   5.1112
_cell_volume                     314.840
_exptl_crystal_density_diffrn    8.211
_[local]_cod_chemical_formula_sum_orig 'Nd Ta O4'
_cod_database_code               9009753
_amcsd_database_code             AMCSD#0012741
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2-x,y,-z
-x,1/2+y,1/2-z
1/2+x,-y,z
+x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Nd 0.25000 0.11780 0.00000 0.00393
Ta 0.25000 0.65150 0.00000 0.00633
O1 0.01520 0.71880 0.21650 0.00545
O2 0.90140 0.45630 0.23960 0.00646