
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_59640-ICSD
_database_code_ICSD 59640
_audit_creation_date 2005-04-01
_audit_update_record 2006-04-01
_chemical_name_common 'Tetralithium zinc bis(phosphate(V)) - alpha'
_chemical_formula_structural 'Li4 Zn (P O4)2'
_chemical_formula_sum 'Li4 O8 P2 Zn1'
_chemical_name_structure_type Î±-Li4Zn(PO4)2
_exptl_crystal_density_diffrn 2.89
_citation_title

;
Hydrothermal synthesis of lithium zinc phosphates: structural investigation of
twinned alpha-Li4 Zn (P O4)2 and a high temperature polymorph beta-Li4 Zn (P
O4)2
;
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' 2002 166 341 351 JSSCBI
loop_
_citation_author_citation_id
_citation_author_name
primary 'Jensen, T.R.'
primary 'Hazell, R.G.'
primary 'Christensen, A.N.'
primary 'Hanson, J.C.'
_cell_length_a 8.096(2)
_cell_length_b 10.242(2)
_cell_length_c 8.106(2)
_cell_angle_alpha 90
_cell_angle_beta 104.73(3)
_cell_angle_gamma 90
_cell_volume 650.05
_cell_formula_units_Z 4
_space_group_name_H-M_alt 'P 1 21/a 1'
_space_group_IT_number 14
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x+1/2, -y+1/2, z'
2 '-x, -y, -z'
3 '-x+1/2, y+1/2, -z'
4 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Zn2+ 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_U_iso_or_equiv
_atom_site_occupancy
Zn1 Zn2+ 4 e -0.4101(3) 0.6566(2) 0.0907(3) 0.006(1) 1.
P1 P5+ 4 e -0.4711(6) 0.4085(5) 0.2888(6) 0.004(3) 1.
P2 P5+ 4 e -0.5343(6) 0.9078(5) 0.2301(6) 0.003(3) 1.
O1 O2- 4 e -0.625(2) 0.348(1) 0.344(2) 0.007(7) 1.
O2 O2- 4 e -0.317(1) 0.400(1) 0.442(2) 0.001(7) 1.
O3 O2- 4 e -0.443(2) 0.335(1) 0.133(2) 0.015(8) 1.
O4 O2- 4 e -0.506(2) 0.555(1) 0.242(2) 0.009(8) 1.
O5 O2- 4 e -0.587(2) 0.842(1) 0.385(2) 0.004(7) 1.
O6 O2- 4 e -0.684(2) 0.900(1) 0.067(2) 0.005(7) 1.
O7 O2- 4 e -0.387(2) 0.834(1) 0.191(2) 0.011(8) 1.
O8 O2- 4 e -0.482(2) 0.052(1) 0.274(2) 0.013(8) 1.
Li1 Li1+ 4 e -0.646(5) 0.855(4) 0.862(5) 0.063(14) 1.
Li2 Li1+ 4 e -0.411(8) 0.826(6) 0.602(7) 0.034(11) 1.
Li3 Li1+ 4 e -0.734(5) 0.929(4) 0.524(5) 0.023(8) 1.
Li4 Li1+ 4 e -0.655(6) 0.668(5) 0.358(6) 0.018(8) 1.
#End of TTdata_59640-ICSD