
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_153518-ICSD
_database_code_ICSD 153518
_audit_creation_date 2006-10-01
_audit_update_record 2008-02-01
_chemical_name_common 'Lithium erbium tetrakis(phosphate(V))'
_chemical_formula_structural 'Li Er (P O3)4'
_chemical_formula_sum 'Er1 Li1 O12 P4'
_chemical_name_structure_type LiNd(PO3)4
_exptl_crystal_density_diffrn 3.68
_citation_title
'Synthesis, crystal structure and infrared study of Li Er (P O3)4'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Materials Research Bulletin' 2005 40 1985 1992 MRBUAC
loop_
_citation_author_citation_id
_citation_author_name
primary 'Ben Zarkouna, E.'
primary 'Ferid, M.'
primary 'Driss, A.'
_cell_length_a 16.262(2)
_cell_length_b 7.032(1)
_cell_length_c 9.549(2)
_cell_angle_alpha 90.
_cell_angle_beta 125.95(1)
_cell_angle_gamma 90.
_cell_volume 883.98
_cell_formula_units_Z 4
_space_group_name_H-M_alt 'C 1 2/c 1'
_space_group_IT_number 15
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, -y, z+1/2'
2 '-x, -y, -z'
3 '-x, y, -z+1/2'
4 'x, y, z'
5 'x+1/2, -y+1/2, z+1/2'
6 '-x+1/2, -y+1/2, -z'
7 '-x+1/2, y+1/2, -z+1/2'
8 'x+1/2, y+1/2, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1
Er3+ 3
P5+ 5
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
Li1 Li1+ 4 e 0 0.293(1) 0.75 0.014(2) 1.
Er1 Er3+ 4 e 0 0.20358(3) 0.25 0.00479(9) 1.
P1 P5+ 8 f 0.13747(6) 0.4489(1) 0.65917(9) 0.0046(1) 1.
P2 P5+ 8 f 0.85374(6) 0.1493(1) 0.40271(9) 0.0049(1) 1.
O1 O2- 8 f 0.1131(2) 0.2846(3) 0.5423(3) 0.0100(4) 1.
O2 O2- 8 f 0.9297(2) 0.0821(3) 0.5833(3) 0.0086(4) 1.
O3 O2- 8 f 0.8719(2) 0.1154(4) 0.2688(3) 0.0098(4) 1.
O4 O2- 8 f 0.8435(2) 0.3726(3) 0.4210(3) 0.0088(4) 1.
O5 O2- 8 f 0.7449(2) 0.0768(4) 0.3420(3) 0.0090(4) 1.
O6 O2- 8 f 0.0648(2) 0.4985(3) 0.7023(3) 0.0083(4) 1.
#End of TTdata_153518-ICSD