
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_421725-ICSD
_database_code_ICSD 421725
_audit_creation_date 2012-02-01
_audit_update_record 2012-08-01
_chemical_name_common 'Lithium cerium tetrakis(trioxophosphate)'
_chemical_formula_structural 'Li Ce (P O3)4'
_chemical_formula_sum 'Ce1 Li1 O12 P4'
_chemical_name_structure_type LiNd(PO3)4
_exptl_crystal_density_diffrn 3.31
_diffrn_ambient_temperature 298.
_citation_title 'Synthesis and crystal structure of Li Ce (P O4)3'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'X-Ray Structure Analysis Online' 2011 27 13 14 XSAOBG
loop_
_citation_author_citation_id
_citation_author_name
primary 'Mesfar, M.'
primary 'Abdelhedi, M.'
primary 'Hernandez, O.'
primary 'Dammak, M.'
primary 'Ferid, M.'
_cell_length_a 16.520(7)
_cell_length_b 7.088(4)
_cell_length_c 9.831(4)
_cell_angle_alpha 90
_cell_angle_beta 126.290(2)
_cell_angle_gamma 90
_cell_volume 927.86
_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
Ce3+ 3
Li1+ 1
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
Ce1 Ce3+ 4 e 0.5 0.802002(14) 0.25 0.0067 1.
Li1 Li1+ 4 e 0.5 0.2999(6) 0.25 0.0146 1.
P1 P5+ 8 f 0.64985(2) 1.16158(4) 0.59674(4) 0.007 1.
P2 P5+ 8 f 0.63907(2) 0.55888(4) 0.66519(4) 0.0067 1.
O1 O2- 8 f 0.57569(7) 1.10243(13) 0.41741(11) 0.0116 1.
O2 O2- 8 f 0.63084(8) 1.11532(14) 0.72279(13) 0.0126 1.
O3 O2- 8 f 0.74336(6) 0.58953(14) 0.84545(11) 0.0109 1.
O4 O2- 8 f 0.66154(8) 0.38456(13) 0.59043(12) 0.0116 1.
O5 O2- 8 f 0.61486(7) 0.72114(12) 0.55133(11) 0.0122 1.
O6 O2- 8 f 0.56600(6) 0.50642(13) 0.70195(12) 0.0105 1.
#End of TTdata_421725-ICSD