
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_72099-ICSD
_database_code_ICSD 72099
_audit_creation_date 1993-08-22
_chemical_name_common 'Trilithium phyllo-alumogermanate'
_chemical_formula_structural 'Li3 (Al Ge O5)'
_chemical_formula_sum 'Al1 Ge1 Li3 O5'
_chemical_name_structure_type Li3AlGeO5
_exptl_crystal_density_diffrn 3.2
_citation_title

;
Crystal structure of Li3 A B O5 (A= Al, Ga; B= Si, Ge): a novel wurtzite
superstructure
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Solid State Chemistry' 1992 98 33 39 JSSCBI
loop_
_citation_author_citation_id
_citation_author_name
primary 'Skakle, J.M.S.'
primary 'Fletcher, J.G.'
primary 'Howie, R.A.'
primary 'Lee, C.-K.'
primary 'West, A.R.'
_cell_length_a 4.8711(2)
_cell_length_b 5.3953(2)
_cell_length_c 15.8221(7)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 415.82
_cell_formula_units_Z 4
_space_group_name_H-M_alt 'P 21 n b'
_space_group_IT_number 33
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y+1/2, -z+1/2'
2 'x+1/2, -y+1/2, z+1/2'
3 'x+1/2, -y, -z'
4 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Al3+ 3
Ge4+ 4
O2- -2
Li1+ 1
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_B_iso_or_equiv
_atom_site_occupancy
Al1 Al3+ 4 a 0.49(2) 0.323(3) 0.202(2) . 1.
Ge1 Ge4+ 4 a 0 0.161(1) 0.0983(8) . 1.
O1 O2- 4 a 0.58(1) 0.651(9) 0.212(3) . 1.
O2 O2- 4 a 0.632(9) 0.196(6) 0.112(3) . 1.
O3 O2- 4 a 0.10(2) 0.322(8) 0.009(3) . 1.
O4 O2- 4 a 0.095(9) 0.860(6) 0.106(3) . 1.
O5 O2- 4 a 0.13(1) 0.300(8) 0.192(8) . 1.
Li1 Li1+ 4 a 0.99(6) 0.16(2) 0.303(7) . 1.
Li2 Li1+ 4 a 0.46(2) 0.36(2) 0.99(1) . 1.
Li3 Li1+ 4 a 0.51(5) 0.81(1) 0.093(9) . 1.
#End of TTdata_72099-ICSD