
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_636-ICSD
_database_code_ICSD 636
_audit_creation_date 1980-01-01
_audit_update_record 2011-08-01
_chemical_name_common 'Dilithium cadmium tetrakis(catena-phosphate(V))'
_chemical_formula_structural 'Li2 Cd (P O3)4'
_chemical_formula_sum 'Cd1 Li2 O12 P4'
_chemical_name_structure_type Li2Mn(PO3)4
_exptl_crystal_density_diffrn 3.25
_citation_title

;
Structures cristallines des polyphosphates de cadmium-lithium et de
mercure-lithium Cd Li2 (P O3)4 et Hg Li2 (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 B: Structural Crystallography and Crystal
Chemistry
; 1976 32 2953 2956 ACBCAR
loop_
_citation_author_citation_id
_citation_author_name
primary 'Averbuch-Pouchot, M.T.'
primary 'Tordjman, I.'
primary 'Guitel, J.C.'
_cell_length_a 9.495(3)
_cell_length_b 10.15(1)
_cell_length_c 9.375(3)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 903.51
_cell_formula_units_Z 4
_space_group_name_H-M_alt 'P n a m'
_space_group_IT_number 62
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x+1/2, -y+1/2, z'
2 'x, y, -z+1/2'
3 '-x+1/2, y+1/2, z+1/2'
4 '-x, -y, -z'
5 '-x+1/2, y+1/2, -z'
6 '-x, -y, z+1/2'
7 'x+1/2, -y+1/2, -z+1/2'
8 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cd2+ 2
P5+ 5
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
Cd1 Cd2+ 4 c 0.5136(6) 0.3058 0.25 0.2 1.
P1 P5+ 4 c 0.226(2) 0.487(1) 0.25 0.7 1.
P2 P5+ 8 d 0.294(1) 0.110(1) 0.468(1) 0.4 1.
P3 P5+ 4 c 0.304(2) 0.898(1) 0.25 0.8 1.
O1 O2- 4 c 0.143(6) 0.354(4) 0.25 6. 1.
O2 O2- 4 c 0.391(5) 0.494(4) 0.25 3. 1.
O3 O2- 8 d 0.166(3) 0.576(2) 0.375(2) 1.4 1.
O4 O2- 8 d 0.850(3) 0.506(3) 0.382(2) 2.1 1.
O5 O2- 8 d 0.146(3) 0.121(2) 0.449(2) 1. 1.
O6 O2- 8 d 0.385(3) 0.229(2) 0.439(2) 1.1 1.
O7 O2- 4 c 0.155(5) 0.884(4) 0.25 2.5 1.
O8 O2- 4 c 0.392(5) 0.778(5) 0.25 4. 1.
Li1 Li1+ 8 d 0.008(10) 0.836(4) 0.386(4) 3. 1.
#End of TTdata_636-ICSD