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#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/12/1511206.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_1511206
loop_
_publ_author_name
'Shuvaeva, V.A.'
'Belokoneva, E.L.'
'Leonyuk, N.I.'
'Antipin, M.Yu.'
_publ_section_title
;
 Crystal structure of a high-temperature modification of La B Si O5, a
 synthetic analog of stillwellite
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1097
_journal_page_last               1101
_journal_volume                  41
_journal_year                    1996
_chemical_formula_sum            'B La O5 Si'
_chemical_name_systematic        'La (B Si O5)'
_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                   6.838
_cell_length_b                   6.838
_cell_length_c                   6.773
_cell_volume                     274.265
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            boron0-1_317.cif
_cod_data_source_block           B1La1O5Si1
_cod_original_cell_volume        274.2647
_cod_original_formula_sum        'B1 La1 O5 Si1'
_cod_database_code               1511206
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
O4 O-2 0.466 0.603 0.002 1 0.0
O2 O-2 0.191 0.343 0.307 1 0.0
Si1 Si+4 0.5825 0 0.499 1 0.0
O5 O-2 0 0.037 0.833 1 0.0
O1 O-2 0.343 0.191 0.027 1 0.0
B1 B+3 0.111 0.001 0 1 0.0
La1 La+3 0.59784 0 0 1 0.0
O3 O-2 0.603 0.466 0.33 1 0.0
