
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_240703-ICSD
_database_code_ICSD 240703
_audit_creation_date 2007-04-01
_audit_update_record 2008-02-01
_chemical_name_common 'Lithium terbium tetrakis(catena-phosphate(V))'
_chemical_formula_structural 'Li Tb (P O3)4'
_chemical_formula_sum 'Li1 O12 P4 Tb1'
_chemical_name_structure_type LiNd(PO3)4
_exptl_crystal_density_diffrn 3.57
_citation_title 'Li Tb (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 'Acta Crystallographica, Section E: Structure Reports Online' 2007 63 i1
i2 ACSEBH
loop_
_citation_author_citation_id
_citation_author_name
primary 'Ben Zarkouna, E.'
primary 'Horchani-Naifer, K.'
primary 'Ferid, M.'
primary 'Driss, A.'
_cell_length_a 16.358(2)
_cell_length_b 7.050(2)
_cell_length_c 9.629(2)
_cell_angle_alpha 90.
_cell_angle_beta 126.150(10)
_cell_angle_gamma 90.
_cell_volume 896.66
_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
Tb3+ 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. 0.7050(10) 0.25 0.018(2) 1
Tb1 Tb3+ 4 e 0. 0.20252(3) 0.25 0.00650(10) 1
P1 P5+ 8 f 0.13795(7) 0.55300(10) 0.61510(10) 0.0064(2) 1
P2 P5+ 8 f 0.14715(7) 0.15200(10) 0.69740(10) 0.0068(2) 1
O1 O2- 8 f 0.1137(2) 0.7167(4) 0.6825(4) 0.0121(6) 1
O2 O2- 8 f 0.0719(2) 0.0871(4) 0.7268(4) 0.0106(5) 1
O3 O2- 8 f 0.1286(2) 0.1149(4) 0.5286(3) 0.0116(5) 1
O4 O2- 8 f 0.1578(2) 0.3762(4) 0.7340(3) 0.0108(5) 1
O5 O2- 8 f 0.2555(2) 0.0801(4) 0.8536(3) 0.0104(5) 1
O6 O2- 8 f 0.0653(2) 0.5027(4) 0.4280(3) 0.0097(5) 1
#End of TTdata_240703-ICSD