
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_203174-ICSD
_database_code_ICSD 203174
_audit_creation_date 1990-12-27
_audit_update_record 1990-12-28
_chemical_name_common 'Lithium zinc phosphate'
_chemical_formula_structural 'Li Zn (P O4)'
_chemical_formula_sum 'Li1 O4 P1 Zn1'
_chemical_name_structure_type Î±-LiZnPO4
_exptl_crystal_density_diffrn 3.31
_citation_title "Structure cristalline de l'orthophosphate Li Zn P O4"
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary

;
Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences
Chimiques
; 1989 309 199 203 CHDCAQ
loop_
_citation_author_citation_id
_citation_author_name
primary 'Elfakir, A.'
primary 'Souron, J.P.'
primary 'Robert, F.'
primary 'Quarton, M.'
_cell_length_a 17.266(2)
_cell_length_b 9.738(1)
_cell_length_c 17.092(3)
_cell_angle_alpha 90.
_cell_angle_beta 111.03(1)
_cell_angle_gamma 90.
_cell_volume 2682.37
_cell_formula_units_Z 32
_space_group_name_H-M_alt 'C 1 c 1'
_space_group_IT_number 9
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, -y, z+1/2'
2 'x, y, z'
3 'x+1/2, -y+1/2, z+1/2'
4 'x+1/2, y+1/2, 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 0.0651(6) 0.060(2) 0.1882(6) 0.012(2) 1.
Li2 Li1+ 4 a 0.0265(6) 0.285(1) 0.4387(7) 0.010(2) 1.
Li3 Li1+ 4 a 0.3473(6) 0.285(1) 0.1879(7) 0.008(2) 1.
Li4 Li1+ 4 a 0.3090(6) 0.071(1) 0.4395(7) 0.009(2) 1.
Li5 Li1+ 4 a 0.0944(7) 0.531(1) 0.1871(8) 0.014(2) 1.
Li6 Li1+ 4 a 0.0588(7) 0.819(1) 0.4407(7) 0.011(2) 1.
Li7 Li1+ 4 a 0.3106(8) 0.809(1) 0.1933(8) 0.010(2) 1.
Li8 Li1+ 4 a 0.2787(7) 0.540(1) 0.4388(7) 0.013(2) 1.
Zn1 Zn2+ 4 a -0.06711(7) -0.0625(1) -0.18915(7) 0.008(7) 1.
Zn2 Zn2+ 4 a -0.02773(6) -0.2864(1) -0.4410(7) 0.008(8) 1.
Zn3 Zn2+ 4 a -0.34576(6) -0.2851(1) -0.18944(7) 0.007(8) 1.
Zn4 Zn2+ 4 a -0.30917(6) -0.0697(1) -0.44051(7) 0.008(8) 1.
Zn5 Zn2+ 4 a -0.09261(7) -0.5344(1) -0.18854(8) 0.008(9) 1.
Zn6 Zn2+ 4 a -0.05997(7) -0.8172(1) -0.44002(7) 0.007(7) 1.
Zn7 Zn2+ 4 a -0.31436(7) -0.8107(1) -0.18884(8) 0.008(6) 1.
Zn8 Zn2+ 4 a -0.27819(6) -0.5360(1) -0.43955(7) 0.007(7) 1.
P1 P5+ 4 a 0.1568(1) 0.2830(2) 0.1249(1) 0.006(1) 1.
P2 P5+ 4 a 0.1231(1) 0.0624(2) 0.3750(1) 0.006(1) 1.
P3 P5+ 4 a 0.4049(1) 0.0307(2) 0.1245(1) 0.005(5) 1.
P4 P5+ 4 a 0.3739(1) 0.3113(2) 0.3748(1) 0.005(4) 1.
P5 P5+ 4 a -0.1560(1) -0.2836(2) -0.1268(1) 0.005(6) 1.
P6 P5+ 4 a -0.12326(9) -0.0633(2) -0.3770(1) 0.005(3) 1.
P7 P5+ 4 a -0.4044(1) -0.0313(2) -0.1265(1) 0.005(4) 1.
P8 P5+ 4 a -0.3742(1) -0.3120(2) -0.3775(1) 0.005(5) 1.
O1 O2- 4 a 0.1692(3) 0.4388(4) 0.1376(3) 0.007(8) 1.
O2 O2- 4 a 0.1414(4) 0.226(1) 0.1987(6) 0.009(4) 1.
O3 O2- 4 a 0.2334(2) 0.2195(4) 0.1124(3) 0.008(6) 1.
O4 O2- 4 a 0.0791(2) 0.2505(5) 0.0484(3) 0.007(7) 1.
O5 O2- 4 a 0.0441(3) 0.1480(4) 0.3592(3) 0.010(5) 1.
O6 O2- 4 a 0.1383(2) -0.0346(5) 0.4501(3) 0.007(1) 1.
O7 O2- 4 a 0.1977(2) 0.1595(5) 0.3918(23) 0.008(2) 1.
O8 O2- 4 a 0.1119(3) -0.024(1) 0.2987(5) 0.003(5) 1.
O9 O2- 4 a 0.4200(3) 0.1859(4) 0.1378(3) 0.008(9) 1.
O10 O2- 4 a 0.3893(4) -0.033(1) 0.2023(6) 0.01(9) 1.
O11 O2- 4 a 0.4808(2) -0.0322(4) 0.1129(3) 0.008(9) 1.
O12 O2- 4 a 0.3275(2) 0.0009(5) 0.0461(3) 0.008(9) 1.
O13 O2- 4 a 0.2951(2) 0.3970(4) 0.3578(3) 0.008(4) 1.
O14 O2- 4 a 0.3897(3) 0.2149(5) 0.4501(3) 0.010(3) 1.
O15 O2- 4 a 0.4480(2) 0.4101(4) 0.3915(3) 0.008(4) 1.
O16 O2- 4 a 0.3630(4) 0.217(1) 0.2962(6) 0.004(6) 1.
O17 O2- 4 a -0.1667(3) -0.4393(4) -0.1404(3) 0.009(2) 1.
O18 O2- 4 a -0.1439(4) -0.217(1) -0.2051(6) 0.009(5) 1.
O19 O2- 4 a -0.2336(2) -0.2257(5) -0.1145(3) 0.009(1) 1.
O20 O2- 4 a -0.0783(2) -0.2497(5) -0.0502(3) 0.010(3) 1.
O21 O2- 4 a -0.0457(3) -0.1511(5) -0.3627(3) 0.010(4) 1.
O22 O2- 4 a -0.1407(3) 0.0350(5) -0.4524(3) 0.007(6) 1.
O23 O2- 4 a -0.1990(2) -0.1551(5) -0.3925(3) 0.008(7) 1.
O24 O2- 4 a -0.1057(3) 0.028(1) -0.2952(5) 0.01(7) 1.
O25 O2- 4 a -0.4170(2) -0.1869(4) -0.1400(3) 0.008(2) 1.
O26 O2- 4 a -0.3877(3) 0.027(1) -0.2009(5) 0.007(9) 1.
O27 O2- 4 a -0.4824(2) 0.0291(4) -0.1157(3) 0.008(1) 1.
O28 O2- 4 a -0.3263(2) 0.0003(5) -0.0498(3) 0.008(8) 1.
O29 O2- 4 a -0.2966(2) -0.3998(5) -0.3620(3) 0.008(7) 1.
O30 O2- 4 a -0.3891(3) -0.2174(5) -0.4531(3) 0.007(7) 1.
O31 O2- 4 a -0.4504(2) -0.4043(4) -0.3927(3) 0.005(7) 1.
O32 O2- 4 a -0.3617(3) -0.223(1) -0.3041(5) 0.008(6) 1.
#End of TTdata_203174-ICSD