
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_79352-ICSD
_database_code_ICSD 79352
_audit_creation_date 1996-10-14
_chemical_name_common 'Lithium zinc phosphate(V)'
_chemical_formula_structural 'Li Zn (P O4)'
_chemical_formula_sum 'Li1 O4 P1 Zn1'
_chemical_name_structure_type Î´1-LiZnPO4
_exptl_crystal_density_diffrn 3.35
_diffrn_ambient_temperature 298.
_citation_title

;
Tetrahedral-framework lithium zinc phosphate phases: location of light-atom
positions in Li Zn P O4 . (H2 O) by powder neutron diffraction and structure
determination of Li Zn P O4 by ab initio methods
;
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' 1995 114 249 257 JSSCBI
loop_
_citation_author_citation_id
_citation_author_name
primary 'Harrison, W.T.A.'
primary 'Gier, T.E.'
primary 'Nicol, J.M.'
primary 'Stucky, G.D.'
_cell_length_a 10.0207(2)
_cell_length_b 6.6731(2)
_cell_length_c 4.96548(8)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 332.04
_cell_formula_units_Z 4
_space_group_name_H-M_alt 'P n 21 a'
_space_group_IT_number 33
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x+1/2, y, -z+1/2'
2 '-x+1/2, y+1/2, z+1/2'
3 '-x, y+1/2, -z'
4 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1
Zn2+ 2
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 a 0.8507(15) 0.721(7) 0.3088(30) 0.01 1.
Zn1 Zn2+ 4 a 0.34486(11) 0.2127(8) 0.18549(24) 0.019(3) 1.
P1 P5+ 4 a 0.40698(23) 0.4613(13) 0.6840(6) 0.019(3) 1.
O1 O2- 4 a 0.3389(6) 0.2695(15) 0.7967(12) 0.009(8) 1.
O2 O2- 4 a 0.1593(6) 0.1483(15) 0.3015(12) 0.009(8) 1.
O3 O2- 4 a 0.3847(6) 0.4640(17) 0.3716(12) 0.009(8) 1.
O4 O2- 4 a 0.4432(6) -0.0358(15) 0.2447(12) 0.009(8) 1.
#End of TTdata_79352-ICSD