
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_90849-ICSD
_database_code_ICSD 90849
_audit_creation_date 2002-04-01
_chemical_name_common 'Tetralithium tetraborooctasilicate'
_chemical_formula_structural 'Li4 (B4 Si8 O24)'
_chemical_formula_sum 'B4 Li4 O24 Si8'
_exptl_crystal_density_diffrn 2.54
_diffrn_ambient_temperature 298.
_citation_title 'Hydrothermal synthesis and structure of Li4 B4 Si8 O24'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'International Journal of Inorganic Materials' 2000 2 81 86 IJIMCR
loop_
_citation_author_citation_id
_citation_author_name
primary 'Parise, J.B.'
primary 'Gier, T.E.'
_cell_length_a 5.0448(2)
_cell_length_b 13.1688(4)
_cell_length_c 13.3933(2)
_cell_angle_alpha 90.
_cell_angle_beta 90.069(2)
_cell_angle_gamma 90.
_cell_volume 889.77
_cell_formula_units_Z 2
_space_group_name_H-M_alt 'P 1 21 1'
_space_group_IT_number 4
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 '-x, y+1/2, -z'
2 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Si4+ 4
Li1+ 1
B3+ 3
O2- -2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
Si1 Si4+ 2 a 0.6818(7) 0.4605(2) 0.0820(3) . 1.
Si2 Si4+ 2 a 0.1722(6) 0.3714(2) -0.0226(3) . 1.
Si3 Si4+ 2 a 0.7582(6) 0.3763(2) 0.4817(3) . 1.
Si4 Si4+ 2 a 0.5063(6) 0.6418(2) 0.8323(3) . 1.
Si5 Si4+ 2 a 0.2662(6) 0.4639(2) 0.5820(3) . 1.
Si6 Si4+ 2 a -0.0642(7) 0.6420(2) 0.3331(3) . 1.
Si7 Si4+ 2 a 0.0010(6) 0.7311(2) 0.7313(3) . 1.
Si8 Si4+ 2 a 0.4260(7) 0.7294(2) 0.2278(3) . 1.
Li1 Li1+ 2 a -0.0890(4) 0.1530(17) -0.0275(15) 0.029(6) 1.
Li2 Li1+ 2 a 0.6070(4) 0.6697(17) 0.5401(16) 0.031(6) 1.
Li3 Li1+ 2 a 0.1660(3) 0.9363(14) 0.2312(13) 0.014(4) 1.
Li4 Li1+ 2 a 0.3470(4) 0.4423(15) 0.2899(14) 0.019(5) 1.
B1 B3+ 2 a 0.8480(3) 0.4376(11) 0.2880(11) 0.006(4) 1.
B2 B3+ 2 a 0.5840(3) 0.6656(11) 0.0372(11) 0.005(3) 1.
B3 B3+ 2 a 0.8990(3) 0.1658(11) 0.4635(11) 0.008(4) 1.
B4 B3+ 2 a 0.3370(3) 0.4356(10) 0.7889(11) 0.004(3) 1.
O1 O2- 2 a 0.4230(17) 0.6600(7) -0.0521(6) 0.016(2) 1.
O2 O2- 2 a 0.1729(15) 0.4484(7) 0.6954(6) 0.010(2) 1.
O3 O2- 2 a -0.0835(14) 0.6829(6) 0.6239(6) 0.010(2) 1.
O4 O2- 2 a 0.1442(14) 0.4297(6) 0.8674(6) 0.014(2) 1.
O5 O2- 2 a 0.7592(15) 0.5775(6) 0.0516(6) 0.009(2) 1.
O6 O2- 2 a 0.3865(14) 0.6789(5) 0.1202(6) 0.010(2) 1.
O7 O2- 2 a 0.6817(14) 0.4318(6) 0.3754(6) 0.012(2) 1.
O8 O2- 2 a 0.6619(15) 0.4485(7) 0.2012(6) 0.008(2) 1.
O9 O2- 2 a 0.2864(15) 0.5834(6) 0.5527(6) 0.009(2) 1.
O10 O2- 2 a 0.0379(16) 0.3565(6) 0.2755(6) 0.012(2) 1.
O11 O2- 2 a 0.5218(17) 0.5261(7) 0.7980(7) 0.015(2) 1.
O12 O2- 2 a 0.2209(15) 0.2549(6) -0.0356(6) 0.013(2) 1.
O13 O2- 2 a -0.0808(16) 0.6533(7) 0.4545(6) 0.015(2) 1.
O14 O2- 2 a 0.0252(15) 0.5324(6) 0.2934(6) 0.012(2) 1.
O15 O2- 2 a 0.5194(16) 0.3513(6) 0.7835(6) 0.013(2) 1.
O16 O2- 2 a 0.3014(11) 0.7055(5) 0.7610(4) 0.017(2) 1.
O17 O2- 2 a 0.0665(10) 0.4040(5) 0.5097(4) 0.014(1) 1.
O18 O2- 2 a 0.7189(16) 0.2581(6) 0.4755(6) 0.014(2) 1.
O19 O2- 2 a 0.3912(11) 0.4323(5) 0.0429(4) 0.017(2) 1.
O20 O2- 2 a 0.6408(11) 0.6713(5) 0.2924(4) 0.017(2) 1.
O21 O2- 2 a 0.893(1) 0.3831(5) 0.0349(4) 0.014(2) 1.
O22 O2- 2 a 0.5663(10) 0.4209(5) 0.5687(4) 0.014(2) 1.
O23 O2- 2 a 0.1432(11) 0.7253(5) 0.2852(4) 0.018(2) 1.
O24 O2- 2 a 0.8057(10) 0.6882(5) 0.8158(4) 0.016(2) 1.
#End of TTdata_90849-ICSD