#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/07/1530755.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_1530755
loop_
_publ_author_name
'Sheviren, A.A.'
'Muradyan, L.A.'
'Egorov-Tismenko, Yu.K.'
'Simonov, V.I.'
'Simonov, M.A.'
'Belov, N.V.'
_publ_section_title
;
 The deformation electronic density in lithium borate Li3 B5 O8 (O H)2
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              111
_journal_page_last               114
_journal_volume                  257
_journal_year                    1981
_chemical_formula_sum            'B5 H2 Li3 O10'
_chemical_name_systematic        'Li3 (B5 O8 (O H)2)'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.848
_cell_length_b                   6.848
_cell_length_c                   14.564
_cell_volume                     682.980
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Sheviren_DANKAS_1981_1028.cif
_cod_data_source_block           H2B5Li3O10
_cod_original_cell_volume        682.9803
_cod_original_formula_sum        'H2 B5 Li3 O10'
_cod_database_code               1530755
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/4
-x,-y,z+1/2
y+1/2,-x+1/2,z+3/4
x+1/2,-y+1/2,-z+3/4
y,x,-z
-x+1/2,y+1/2,-z+1/4
-y,-x,-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
B2 B+3 0.0066 0.2534 0.10688 1 0.0
O3 O-2 0.4603 0.2337 0.23786 1 0.0
H1 H+1 0.377 -0.015 0.482 1 0.0
O1 O-2 0.1449 0.0954 0.26959 1 0.0
O4 O-2 0.3241 0.3731 0.41789 1 0.0
B3 B+3 0.5625 0.5625 0 1 0.0
O2 O-2 0.1917 0.45 0.27081 1 0.0
Li2 Li+1 0.3038 0.3038 0 1 0.0
B1 B+3 0.2479 0.2606 0.22741 1 0.0
O5 O-2 0.1975 0.2796 0.12945 1 0.0
Li1 Li+1 0.1354 0.1504 0.4069 1 0.0
