#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/27/2002721.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2002721
loop_
_publ_author_name
'Gressling, T'
'Mueller-Buschbaum, Hk'
_publ_section_title              'Zur Kristallstruktur von Ce2 (W O4)3'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_page_first              1513
_journal_page_last               1516
_journal_volume                  50
_journal_year                    1995
_chemical_formula_structural     'Ce2 (W O4)3'
_chemical_formula_sum            'Ce2 O12 W3'
_chemical_name_systematic        'Dicerium tris(tungstate)'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.36(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.813(3)
_cell_length_b                   11.72
_cell_length_c                   11.58
_cell_volume                     1000.4
_refine_ls_R_factor_all          0.063
_cod_database_code               2002721
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2-x,1/2+y,1/2-z
1/2-x,1/2-y,-z
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Ce1 Ce3+ 8 f 0.321210(8) 0.373360(5) 0.404850(5) 1. 0 d
W1 W6+ 4 e 0. 0.118370(6) 0.25 1. 0 d
W2 W6+ 8 f 0.154250(6) 0.354710(4) 0.047910(4) 1. 0 d
O1 O2- 8 f 0.01292(13) 0.04042(8) 0.38739(8) 1. 0 d
O2 O2- 8 f 0.19153(15) 0.20562(10) 0.27808(10) 1. 0 d
O3 O2- 8 f 0.07174(12) 0.30076(10) 0.46200(9) 1. 0 d
O4 O2- 8 f 0.2184(2) 0.42648(11) 0.19150(9) 1. 0 d
O5 O2- 8 f 0.13829(14) 0.53699(9) 0.44016(9) 1. 0 d
O6 O2- 8 f 0.38305(14) 0.28577(10) 0.07645(10) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ce3+ 3.000
W6+ 6.000
O2- -2.000
