#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/24/9012498.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_9012498
loop_
_publ_author_name
'Skakle, J. M. S.'
'Dickson, C. L.'
'Glasser, F. P.'
_publ_section_title
;
 The crystal structures of CeSiO4 and Ca2Ce8(SiO4)6O2
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              234
_journal_page_last               238
_journal_paper_doi               10.1017/S0885715600011143
_journal_volume                  15
_journal_year                    2000
_chemical_compound_source        Synthetic
_chemical_formula_structural     Ca2Ce8(SiO4)6O2
_chemical_formula_sum            'Ca1.011 Ce3.989 O13 Si3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.4343
_cell_length_b                   9.4343
_cell_length_c                   6.8885
_cell_formula_units_Z            2
_cell_volume                     530.976
_database_code_amcsd             0015319
_exptl_crystal_density_diffrn    5.577
_cod_original_formula_sum        '(Ca1.011 Ce3.989) Si3 O13'
_cod_database_code               9012498
_amcsd_formula_title             Ca2Ce8(SiO4)6O2
loop_
_space_group_symop_operation_xyz
x,y,z
-x+y,-x,1/2-z
x-y,x,1/2+z
y,-x+y,-z
-y,x-y,z
x,y,1/2-z
-x,-y,1/2+z
x-y,x,-z
-x+y,-x,z
-y,x-y,1/2-z
y,-x+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
Ca1 0.33333 0.66667 -0.00380 0.49800 0.05200
Ce1 0.33333 0.66667 -0.00380 0.50200 0.05200
Ce2 0.23380 -0.01080 0.25000 0.99500 0.03020
Ca2 0.23380 -0.01080 0.25000 0.00500 0.03020
Si1 0.40300 0.38000 0.25000 1.00000 0.08200
O1 0.31600 0.46700 0.25000 1.00000 0.04600
O2 0.59700 0.46700 0.25000 1.00000 0.07000
O3 0.34000 0.25200 0.07100 1.00000 0.08300
O4 0.00000 0.00000 0.25000 1.00000 0.08700
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015319
