#------------------------------------------------------------------------------
#$Date: 2024-05-06 08:39:41 +0100 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/97/9009752.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_9009752
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_paper_doi               10.1016/0022-4596(80)90489-2
_journal_volume                  35
_journal_year                    1980
_chemical_formula_structural     CeTaO4
_chemical_formula_sum            'Ce O4 Ta'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.87
_cell_angle_gamma                90
_cell_length_a                   7.6161
_cell_length_b                   5.5254
_cell_length_c                   7.7588
_cell_formula_units_Z            4
_cell_volume                     320.648
_database_code_amcsd             0013407
_exptl_crystal_density_diffrn    7.976
_cod_original_formula_sum        'Ce Ta O4'
_cod_database_code               9009752
_amcsd_formula_title             CeTaO4
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ce 0.34410 0.77280 0.09990 0.00925
Ta 0.16680 0.26700 0.30450 0.00823
O1 0.16800 0.16040 0.05440 0.00874
O2 0.05680 0.58690 0.20670 0.01140
O3 0.38230 0.48420 0.33120 0.00659
O4 0.33380 0.00840 0.36710 0.00988
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013407