#------------------------------------------------------------------------------
#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/01/9000148.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_9000148
loop_
_publ_author_name
'Finney, J. J.'
'Rao, N. N.'
_publ_section_title
;
 The crystal structure of cheralite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              13
_journal_page_last               19
_journal_volume                  52
_journal_year                    1967
_chemical_formula_sum
'Ca0.32 Ce0.15 La0.14 O4 P0.96 Pb0.01 Si0.04 Th0.33 U0.05'
_chemical_name_mineral           Cheralite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.83
_cell_angle_gamma                90
_cell_length_a                   6.717
_cell_length_b                   6.920
_cell_length_c                   6.434
_cell_volume                     290.393
_exptl_crystal_density_diffrn    5.460
_cod_original_formula_sum
'(Ce.15 La.14 Th.33 Ca.32 Pb.01 U.05) (P.96 Si.04) O4'
_cod_database_code               9000148
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-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_occupancy
_atom_site_U_iso_or_equiv
Ce 0.21980 0.15960 0.39910 0.15000 0.01368
La 0.21980 0.15960 0.39910 0.14000 0.01368
Th 0.21980 0.15960 0.39910 0.33000 0.01368
Ca 0.21980 0.15960 0.39910 0.32000 0.01368
Pb 0.21980 0.15960 0.39910 0.01000 0.01368
U 0.21980 0.15960 0.39910 0.05000 0.01368
P 0.19600 0.16300 0.88580 0.96000 0.01051
Si 0.19600 0.16300 0.88580 0.04000 0.01051
O1 0.24730 0.50640 0.44260 1.00000 0.03242
O2 0.02380 0.10440 0.69060 1.00000 0.02330
O3 0.37400 0.22210 0.78980 1.00000 0.01976
O4 0.11140 0.33370 -0.00110 1.00000 0.02444