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#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/09/1510981.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_1510981
loop_
_publ_author_name
'Huppertz, H.'
'Heymann, G.'
_publ_section_title
;
 Multianvil high-pressure/high-temperature synthesis, crystal structure,
 and thermal behaviour of the rare-earth borogermanate Ce6 (B O4)2 Ge9 O22
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              370
_journal_page_last               377
_journal_paper_doi               10.1016/j.jssc.2005.10.028
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'B2 Ce6 Ge9 O30'
_chemical_name_systematic        'Ce6 (B O4)2 Ge9 O22'
_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                 95.94
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.77
_cell_length_b                   10.794
_cell_length_c                   10.791
_cell_volume                     1016.028
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron_65.cif
_cod_data_source_block           B2Ce6Ge9O30
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1510981
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O9 O-2 -0.1444 0.9849 0.2908 1 0.0
Ce1 Ce+3 0.0449 0.66854 0.05792 1 0.0
O6 O-2 0.0763 0.8061 0.2657 1 0.0
O10 O-2 0.0808 0.5314 0.2666 1 0.0
Ce3 Ce+3 -0.00344 0.8224 -0.26835 1 0.0
O3 O-2 0.1333 0.5174 -0.0829 1 0.0
O15 O-2 0.3109 0.711 -0.086 1 0.0
O8 O-2 -0.1963 0.6843 -0.3882 1 0.0
Ge4 Ge+4 -0.12491 0.51459 0.26025 1 0.0
Ge3 Ge+4 0 1 0 1 0.0
O12 O-2 0.109 1.1292 -0.0716 1 0.0
O5 O-2 0.2972 0.5466 0.128 1 0.0
O4 O-2 -0.1737 0.6707 0.1958 1 0.0
Ce2 Ce+3 -0.34804 0.83259 -0.0539 1 0.0
O11 O-2 0.1169 0.866 -0.0605 1 0.0
Ge5 Ge+4 0.34524 0.53813 -0.03151 1 0.0
Ge1 Ge+4 -0.1356 0.8279 0.23718 1 0.0
B1 B+3 -0.2209 0.6626 0.475 1 0.0
O2 O-2 0.1387 1.0258 0.1386 1 0.0
O13 O-2 0.4499 0.391 -0.0147 1 0.0
O14 O-2 -0.1211 0.5686 0.4284 1 0.0
O1 O-2 -0.1457 0.6864 -0.1361 1 0.0
Ge2 Ge+4 -0.25082 0.58215 -0.24891 1 0.0
O7 O-2 -0.144 0.3567 0.313 1 0.0
