#------------------------------------------------------------------------------
#$Date: 2013-05-02 20:34:22 +0100 (Thu, 02 May 2013) $
#$Revision: 84591 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/17/4001745.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_4001745
loop_
_publ_author_name
'Parise, J.B.'
'Gier, T.E.'
_publ_section_title
;
 Hydrothermal Syntheses and Stuctural Refinements of Single Crystal
 LiBGeO4 and LiBSiO4
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              1065
_journal_page_last               1067
_journal_volume                  4
_journal_year                    1992
_chemical_formula_sum            'B Li O4 Si'
_chemical_name_systematic        'Li B (Si O4)'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.3792
_cell_length_b                   4.3792
_cell_length_c                   6.7784
_cell_volume                     129.992
_citation_journal_id_ASTM        CMATEX
_[local]_cod_data_source_file    boron0-1_332.cif
_[local]_cod_data_source_block   B1Li1O4Si1
_[local]_cod_chemical_formula_sum_orig 'B1 Li1 O4 Si1'
_cod_database_code               4001745
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+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
Li1 Li+1 0.5 0.5 0 1 0.0
B1 B+3 0 0.5 0.25 1 0.0
O1 O-2 0.2699 0.1545 0.1285 1 0.0
Si1 Si+4 0 0 0 1 0.0