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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/10/1511021.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_1511021
loop_
_publ_author_name
'MacDonald, D.J.'
'Burns, P.C.'
'della Ventura, G.'
'Parodi, G.C.'
'Hawthorne, F.C.'
_publ_section_title
;
 The crystal structure of stillwellite
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              147
_journal_page_last               152
_journal_volume                  31
_journal_year                    1993
_chemical_formula_sum            'B Ce0.5 La0.5 O5 Si'
_chemical_name_systematic        '(Ce0.5 La0.5) (B O (Si O4))'
_space_group_IT_number           144
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.841
_cell_length_b                   6.841
_cell_length_c                   6.702
_cell_volume                     271.628
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            boron0-1_104.cif
_cod_data_source_block           B1Ce0.5La0.5O5Si1
_cod_original_cell_volume        271.6278
_cod_original_formula_sum        'B1 Ce0.5 La0.5 O5 Si1'
_cod_database_code               1511021
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+1/3
-x+y,-x,z+2/3
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
O3 O-2 -0.0037 0.0562 0.2175 0.55 0.0
O2 O-2 0.534 0.3949 0.0038 1 0.0
La1 La+3 0.41184 0.99984 0 0.5 0.0
B1 B+3 0.8896 0.0005 0.006 1 0.0
Ce1 Ce+3 0.41184 0.99984 0 0.5 0.0
Si1 Si+4 0.4167 0.0001 0.4992 1 0.0
O4 O-2 0.0543 -0.0012 0.1194 0.45 0.0
O5 O-2 0.6571 0.8055 0.0214 1 0.0
O1 O-2 0.1416 0.6039 -0.0042 1 0.0
O6 O-2 0.8493 0.1936 -0.0242 1 0.0
