#------------------------------------------------------------------------------
#$Date: 2010-04-10 19:37:29 +0100 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009719.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_9009719
loop_
_publ_author_name
'Baudracco-Gritti C'
'Quartieri, S.'
'Vezzalini, G.'
'Permingeat, F.'
'Pillard, F.'
'Rinaldi, R.'
_publ_section_title
;
 Une wakefieldite-(Ce) non plombifere: nouvelles donnees sur
 l'espece minerale correspondant a l'orthovanadate de cerium
;
_journal_name_full               'Bulletin de Mineralogie'
_journal_page_first              657
_journal_page_last               663
_journal_volume                  110
_journal_year                    1987
_chemical_formula_sum
'As0.08 Ce0.52 La0.18 Nd0.15 O4 Pr0.05 Sm0.02 V0.92 Y0.07'
_chemical_name_mineral           Wakefieldite-(Ce)
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.354
_cell_length_b                   7.354
_cell_length_c                   6.488
_cell_volume                     350.880
_exptl_crystal_density_diffrn    4.782
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_12174'
_[local]_cod_cif_authors_sg_H-M  'I 41/a m d'
_[local]_cod_chemical_formula_sum_orig
'Ce.52 La.18 Nd.15 Y.07 Pr.05 Sm.02 (V.92 As.08) O4'
_cod_database_code               9009719
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/4-y,3/4-x,1/4+z
3/4-y,1/4-x,3/4+z
1/4+y,3/4+x,1/4-z
3/4+y,1/4+x,3/4-z
1/4+y,3/4-x,1/4-z
3/4+y,1/4-x,3/4-z
1/4-y,3/4+x,1/4+z
3/4-y,1/4+x,3/4+z
1/2+x,-y,1/2+z
+x,1/2-y,+z
1/2-x,y,1/2-z
-x,1/2+y,-z
1/2+x,y,1/2-z
+x,1/2+y,-z
1/2-x,-y,1/2+z
-x,1/2-y,+z
1/4+y,1/4+x,3/4+z
3/4+y,3/4+x,1/4+z
1/4-y,1/4-x,3/4-z
3/4-y,3/4-x,1/4-z
1/4-y,1/4+x,3/4-z
3/4-y,3/4+x,1/4-z
1/4+y,1/4-x,3/4+z
3/4+y,3/4-x,1/4+z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+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_occupancy
_atom_site_U_iso_or_equiv
Ce 0.00000 0.75000 0.12500 0.52000 0.00937
La 0.00000 0.75000 0.12500 0.18000 0.00937
Nd 0.00000 0.75000 0.12500 0.15000 0.00937
Y 0.00000 0.75000 0.12500 0.07000 0.00937
Pr 0.00000 0.75000 0.12500 0.05000 0.00937
Sm 0.00000 0.75000 0.12500 0.02000 0.00937
V 0.00000 0.75000 0.62500 0.92000 0.01064
As 0.00000 0.75000 0.62500 0.08000 0.01064
O 0.00000 0.07160 0.20670 1.00000 0.01735
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ce 0.01120 0.01120 0.00590 0.00000 0.00000 0.00000
La 0.01120 0.01120 0.00590 0.00000 0.00000 0.00000
Nd 0.01120 0.01120 0.00590 0.00000 0.00000 0.00000
Y 0.01120 0.01120 0.00590 0.00000 0.00000 0.00000
Pr 0.01120 0.01120 0.00590 0.00000 0.00000 0.00000
Sm 0.01120 0.01120 0.00590 0.00000 0.00000 0.00000
V 0.01260 0.01260 0.00680 0.00000 0.00000 0.00000
As 0.01260 0.01260 0.00680 0.00000 0.00000 0.00000
O 0.02400 0.01500 0.01300 0.00000 0.00000 -0.00100