#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/20/1542044.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_1542044
loop_
_publ_author_name
'Kutschabsky, L.'
'Reck, G.'
_publ_section_title
;
 Anwendung der Methode der linearen Strukturfaktorgleichungssysteme zur
 Bestimmung des Strukturprinzips zentrosymmetrischer Strukturen aus
 Harkerschnitten
;
_journal_name_full
;
Monatsberichte der Deutschen Akademie der Wissenschaften zu Berlin
;
_journal_page_first              648
_journal_page_last               654
_journal_volume                  8
_journal_year                    1966
_chemical_formula_sum            'B H4 Li O4'
_chemical_name_systematic        'Li B (O H)4'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.169
_cell_length_b                   7.958
_cell_length_c                   8.548
_cell_volume                     623.721
_citation_journal_id_ASTM        MDAWAH
_cod_data_source_file            Kutschabsky_MDAWAH_1966_701.cif
_cod_data_source_block           H4B1Li1O4
_cod_original_cell_volume        623.7211
_cod_original_formula_sum        'H4 B1 Li1 O4'
_cod_database_code               1542044
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-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
B1 B+3 0.0925 0.3292 0.6652 1 0.0
Li1 Li+1 0.1986 0.869 0.3752 1 0.0
O1 O-2 0.0753 0.0665 0.3099 1 0.0
O2 O-2 0.0468 0.705 0.4151 1 0.0
H2 H+1 0.0875 0.585 0.425 1 0.0
H3 H+1 0.243 0.475 0.11 1 0.0
O3 O-2 0.1889 0.424 0.5591 1 0.0
H4 H+1 0.0806 0.42 0.225 1 0.0
H1 H+1 0.0246 0.16 0.386 1 0.0
O4 O-2 0.154 0.1647 0.7083 1 0.0
