# Copyright The Royal Society of Chemistry, 1998 data_global #========================================================================== # 1. SUBMISSION DETAILS _publ_contact_author # Name and address of author for correspondence ; Torben R. Jensen Chemistry Department University of Odense Campusvej 55 DK-5230 Odense M Denmark ; _publ_contact_author_phone '+45 6557 2579' _publ_contact_author_fax '+45 6615 8780' _publ_contact_author_email trj@dou.dk _publ_requested_journal 'J. Chem. Soc., Dalton Transactions, manuscript No. 8/02113I/DAP' _publ_requested_coeditor_name ? #============================================================================== # 3. TITLE AND AUTHOR LIST _publ_section_title ; A new polymorph of LiZnPO4.H2O; synthesis, crystal structure and thermal transformation. ; loop_ _publ_author_name _publ_author_address 'Jensen, Torben R.' ; Chemistry Department University of Odense Campusvej 55 DK-5230 Odense M Denmark ; #============================================================================== # 4. TEXT _publ_section_abstract ; Hydrothermal synthesis, crystal structure and thermal transformation of a new polymorph of lithium zinc phosphate hydrate, beta-LiZnPO4.H2O, which belongs to the zeolite type ABW group of materials; apparently the first member crystallising in space group P21ab. A displacive mechanism for a pressure induced phase transition is proposed. ; #============================================================================== data_jf _audit_creation_method SHELXL _chemical_name_systematic ; Lithium zinc phosphate hydrate ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural '\b-LiZnPO4.H2O' _chemical_formula_analytical 'LiZnPO4.H2O' _chemical_formula_sum 'H2 Li O5 P Zn' _chemical_formula_weight 185.30 _chemical_melting_point ? _chemical_compound_source ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'Li' 'Li' -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Zn' 'Zn' 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting 'Orthorhombic' _symmetry_space_group_name_H-M 'P 21 a b' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x+1/2, -y, -z' 'x, y+1/2, -z' 'x+1/2, -y+1/2, z' _cell_length_a 10.0224(9) _cell_length_b 16.5596(15) _cell_length_c 5.0126(5) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 831.93(13) _cell_formula_units_Z 8 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description 'octahedron' _exptl_crystal_colour 'transparent' _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.07 _exptl_crystal_density_meas 3.01 _exptl_crystal_density_diffrn 2.959 _exptl_crystal_density_method 'Pycnometer, water' _exptl_crystal_F_000 720 _exptl_absorpt_coefficient_mu 6.189 _exptl_absorpt_correction_type 'Gaussian integration' _exptl_absorpt_correction_T_min 0.3748 _exptl_absorpt_correction_T_max 0.6383 _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device 'Siemens SMART CCD diffractometer' _diffrn_measurement_method '\w rotation with narrow frames' _diffrn_standards_number 'not applicable' _diffrn_standards_interval_count 'not applicable' _diffrn_standards_interval_time 'not applicable' _diffrn_standards_decay_% 0 _diffrn_reflns_number 3348 _diffrn_reflns_av_R_equivalents 0.0343 _diffrn_reflns_av_sigmaI/netI 0.0296 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -3 _diffrn_reflns_limit_l_max 5 _diffrn_reflns_theta_min 2.46 _diffrn_reflns_theta_max 26.24 _reflns_number_total 1359 _reflns_number_observed 1350 _reflns_observed_criterion >2sigma(I) _computing_data_collection 'SMART (Siemens, 1996)' _computing_cell_refinement 'SAINT (Siemens, 1996)' _computing_data_reduction 'SAINT (Siemens, 1996)' _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Referencer: Siemens (1995). SMART, SAINT, XPREP, SADABS. Area detector Control and integration software. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA. Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme 'calc w=1/[\s^2^(Fo^2^)+(0.0251P)^2^+7.0140P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment 'H atoms found by diff. Fourier but not refined' _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0129(8) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_abs_structure_details ; Some crystals were bisected by fault planes suggesting that the crystals are possibly twins. ; # 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.62(2) _refine_ls_number_reflns 1359 _refine_ls_number_parameters 146 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0292 _refine_ls_R_factor_obs 0.0290 _refine_ls_wR_factor_all 0.0718 _refine_ls_wR_factor_obs 0.0717 _refine_ls_goodness_of_fit_all 1.061 _refine_ls_goodness_of_fit_obs 1.064 _refine_ls_restrained_S_all 1.061 _refine_ls_restrained_S_obs 1.063 _refine_ls_shift/esd_max -0.003 _refine_ls_shift/esd_mean 0.001 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Zn1 Zn 0.15208(7) 0.69123(4) 0.46055(15) 0.0096(2) Uani 1 d . . Zn2 Zn 0.91841(8) 0.55637(4) 0.11075(15) 0.0095(2) Uani 1 d . . P1 P 0.8494(2) 0.65805(10) 0.5875(3) 0.0072(4) Uani 1 d . . P2 P 0.7232(2) 0.40816(11) 0.0149(4) 0.0077(4) Uani 1 d . . Li1 Li 0.9007(17) 0.7524(8) 0.0923(20) 0.016(3) Uani 1 d . . Li2 Li 0.1768(13) 0.4971(7) 0.4694(24) 0.015(3) Uani 1 d . . O1 O 0.9584(5) 0.7041(3) 0.4330(10) 0.0126(11) Uani 1 d . . O2 O 0.1915(5) 0.5974(3) 0.6867(9) 0.0126(11) Uani 1 d . . O3 O 0.2393(5) 0.6764(3) 0.1078(9) 0.0109(11) Uani 1 d . . O4 O 0.8326(5) 0.5740(3) 0.4615(10) 0.0104(11) Uani 1 d . . O5 O 0.1116(5) 0.5463(3) 0.1360(10) 0.0119(11) Uani 1 d . . O6 O 0.8865(5) 0.6510(3) 0.8823(9) 0.0119(11) Uani 1 d . . O7 O 0.2181(5) 0.7953(3) 0.5676(10) 0.0143(11) Uani 1 d . . O8 O 0.8531(5) 0.4552(3) 0.9731(10) 0.0116(11) Uani 1 d . . O9 O 0.0393(6) 0.8247(3) 0.9846(11) 0.0224(13) Uani 1 d . . O10 O 0.0261(6) 0.4260(4) 0.5348(11) 0.0225(14) Uani 1 d . . H1 H 0.1026 0.8000 0.8687 0.090 Uiso 1 d . . H2 H 0.0084 0.8707 0.9102 0.090 Uiso 1 d . . H3 H 0.0529 0.3788 0.6369 0.090 Uiso 1 d . . H4 H 0.9428 0.4500 0.5914 0.090 Uiso 1 d . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Zn1 0.0101(4) 0.0095(4) 0.0090(4) -0.0006(3) 0.0004(4) -0.0011(4) Zn2 0.0096(4) 0.0096(4) 0.0092(4) -0.0003(3) 0.0005(3) -0.0011(4) P1 0.0069(9) 0.0083(9) 0.0065(9) 0.0000(6) 0.0002(6) 0.0002(8) P2 0.0088(9) 0.0070(9) 0.0073(9) -0.0003(7) -0.0001(6) -0.0005(8) Li1 0.024(7) 0.009(5) 0.016(5) 0.006(5) 0.004(6) 0.000(5) Li2 0.016(8) 0.016(5) 0.015(6) -0.001(4) 0.001(5) 0.005(6) O1 0.010(3) 0.016(2) 0.012(3) 0.002(2) 0.001(2) -0.003(2) O2 0.019(3) 0.012(2) 0.007(2) -0.001(2) -0.002(2) 0.001(2) O3 0.013(3) 0.011(3) 0.009(3) -0.002(2) 0.001(2) 0.001(2) O4 0.014(3) 0.008(2) 0.009(3) -0.002(2) 0.003(2) -0.004(2) O5 0.006(2) 0.016(2) 0.013(2) 0.003(2) 0.000(2) -0.001(2) O6 0.019(3) 0.008(2) 0.009(2) -0.001(2) 0.000(2) 0.001(2) O7 0.013(3) 0.011(3) 0.018(3) -0.005(2) 0.002(2) -0.005(2) O8 0.007(3) 0.013(3) 0.015(3) -0.004(2) 0.001(2) -0.001(2) O9 0.023(3) 0.019(3) 0.026(3) 0.001(2) 0.010(3) 0.004(3) O10 0.020(3) 0.022(3) 0.025(3) 0.005(2) 0.006(2) 0.003(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Zn1 O7 1.922(5) . y Zn1 O1 1.958(5) 1_455 y Zn1 O2 1.964(5) . y Zn1 O3 1.988(5) . y Zn1 Li2 3.225(12) . ? Zn1 Li1 3.239(15) 4_465 ? Zn1 Li1 3.283(15) 1_455 ? Zn2 O8 1.927(5) 1_554 y Zn2 O5 1.948(5) 1_655 y Zn2 O6 1.967(5) 1_554 y Zn2 O4 1.979(5) . y Zn2 Li1 3.253(12) . ? Zn2 Li2 3.302(13) 1_655 ? Zn2 Li2 3.328(13) 2_566 ? P1 O6 1.528(5) . y P1 O7 1.529(6) 4_565 y P1 O4 1.538(5) . y P1 O1 1.541(5) . y P1 Li1 2.978(11) . ? P1 Li1 3.018(12) 1_556 ? P1 Li2 3.110(12) 2_566 ? P2 O2 1.532(5) 2_566 y P2 O8 1.532(5) 1_554 y P2 O3 1.537(5) 2_565 y P2 O5 1.546(5) 2_565 y P2 Li2 2.928(13) 2_565 ? P2 Li2 3.060(12) 2_566 ? Li1 O9 1.91(2) 1_654 y Li1 O1 1.972(12) . y Li1 O6 1.987(13) 1_554 y Li1 O3 2.00(2) 4_565 y Li1 P1 3.018(12) 1_554 ? Li1 Zn1 3.239(15) 4_565 ? Li1 Zn1 3.283(15) 1_655 ? Li2 O10 1.943(14) . y Li2 O5 1.971(13) . y Li2 O2 1.992(13) . y Li2 O4 1.985(13) 2_466 y Li2 P2 2.928(13) 2_465 ? Li2 P2 3.060(12) 2_466 ? Li2 P1 3.110(12) 2_466 ? Li2 Zn2 3.302(13) 1_455 ? Li2 Zn2 3.328(13) 2_466 ? O1 Zn1 1.958(5) 1_655 ? O2 P2 1.532(5) 2_466 ? O3 P2 1.537(5) 2_465 ? O3 Li1 2.00(2) 4_465 ? O4 Li2 1.985(13) 2_566 ? O5 P2 1.546(5) 2_465 ? O5 Zn2 1.948(5) 1_455 ? O6 Zn2 1.967(5) 1_556 ? O6 Li1 1.987(13) 1_556 ? O7 P1 1.529(6) 4_465 ? O8 P2 1.532(5) 1_556 ? O8 Zn2 1.927(5) 1_556 ? O9 Li1 1.91(2) 1_456 ? O9 H1 0.952(5) . y O9 H2 0.904(6) . y O10 H3 0.972(6) . y loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O7 Zn1 O1 105.3(2) . 1_455 y O7 Zn1 O2 118.6(2) . . y O1 Zn1 O2 109.1(2) 1_455 . y O7 Zn1 O3 102.0(2) . . y O1 Zn1 O3 112.7(2) 1_455 . y O2 Zn1 O3 109.1(2) . . y O7 Zn1 Li2 149.7(3) . . ? O1 Zn1 Li2 100.7(3) 1_455 . ? O2 Zn1 Li2 35.7(3) . . ? O3 Zn1 Li2 81.7(3) . . ? O7 Zn1 Li1 68.6(3) . 4_465 ? O1 Zn1 Li1 133.7(3) 1_455 4_465 ? O2 Zn1 Li1 113.7(3) . 4_465 ? O3 Zn1 Li1 35.9(2) . 4_465 ? Li2 Zn1 Li1 103.6(3) . 4_465 ? O7 Zn1 Li1 98.3(3) . 1_455 ? O1 Zn1 Li1 33.5(3) 1_455 1_455 ? O2 Zn1 Li1 136.3(3) . 1_455 ? O3 Zn1 Li1 82.8(3) . 1_455 ? Li2 Zn1 Li1 112.0(3) . 1_455 ? Li1 Zn1 Li1 100.4(2) 4_465 1_455 ? O8 Zn2 O5 106.7(2) 1_554 1_655 y O8 Zn2 O6 115.4(2) 1_554 1_554 y O5 Zn2 O6 105.5(2) 1_655 1_554 y O8 Zn2 O4 107.4(2) 1_554 . y O5 Zn2 O4 112.8(2) 1_655 . y O6 Zn2 O4 109.2(2) 1_554 . y O8 Zn2 Li1 147.1(3) 1_554 . ? O5 Zn2 Li1 98.1(3) 1_655 . ? O6 Zn2 Li1 34.9(2) 1_554 . ? O4 Zn2 Li1 81.6(2) . . ? O8 Zn2 Li2 101.7(3) 1_554 1_655 ? O5 Zn2 Li2 32.8(2) 1_655 1_655 ? O6 Zn2 Li2 133.0(3) 1_554 1_655 ? O4 Zn2 Li2 84.3(3) . 1_655 ? Li1 Zn2 Li2 110.8(4) . 1_655 ? O8 Zn2 Li2 75.4(3) 1_554 2_566 ? O5 Zn2 Li2 131.3(3) 1_655 2_566 ? O6 Zn2 Li2 117.5(3) 1_554 2_566 ? O4 Zn2 Li2 33.0(2) . 2_566 ? Li1 Zn2 Li2 104.1(4) . 2_566 ? Li2 Zn2 Li2 98.47(3) 1_655 2_566 ? O6 P1 O7 108.1(3) . 4_565 y O6 P1 O4 110.8(3) . . y O7 P1 O4 109.6(3) 4_565 . y O6 P1 O1 110.6(3) . . y O7 P1 O1 109.1(3) 4_565 . y O4 P1 O1 108.7(3) . . y O6 P1 Li1 143.5(3) . . ? O7 P1 Li1 80.2(4) 4_565 . ? O4 P1 Li1 98.7(3) . . ? O1 P1 Li1 36.8(4) . . ? O6 P1 Li1 35.6(3) . 1_556 ? O7 P1 Li1 86.5(4) 4_565 1_556 ? O4 P1 Li1 146.3(3) . 1_556 ? O1 P1 Li1 92.5(3) . 1_556 ? Li1 P1 Li1 113.4(4) . 1_556 ? O6 P1 Li2 99.2(3) . 2_566 ? O7 P1 Li2 86.1(3) 4_565 2_566 ? O4 P1 Li2 32.2(3) . 2_566 ? O1 P1 Li2 139.2(3) . 2_566 ? Li1 P1 Li2 116.9(4) . 2_566 ? Li1 P1 Li2 126.8(4) 1_556 2_566 ? O2 P2 O8 109.9(3) 2_566 1_554 y O2 P2 O3 111.0(3) 2_566 2_565 y O8 P2 O3 108.6(3) 1_554 2_565 y O2 P2 O5 110.9(3) 2_566 2_565 y O8 P2 O5 107.5(3) 1_554 2_565 y O3 P2 O5 108.9(3) 2_565 2_565 y O2 P2 Li2 144.0(3) 2_566 2_565 ? O8 P2 Li2 75.5(3) 1_554 2_565 ? O3 P2 Li2 100.0(3) 2_565 2_565 ? O5 P2 Li2 38.6(3) 2_565 2_565 ? O2 P2 Li2 34.3(3) 2_566 2_566 ? O8 P2 Li2 89.1(3) 1_554 2_566 ? O3 P2 Li2 145.2(3) 2_565 2_566 ? O5 P2 Li2 93.1(3) 2_565 2_566 ? Li2 P2 Li2 113.7(4) 2_565 2_566 ? O9 Li1 O1 106.6(8) 1_654 . y O9 Li1 O6 115.6(7) 1_654 1_554 y O1 Li1 O6 97.9(6) . 1_554 y O9 Li1 O3 103.3(6) 1_654 4_565 y O1 Li1 O3 116.2(6) . 4_565 y O6 Li1 O3 117.4(8) 1_554 4_565 y O9 Li1 P1 133.6(6) 1_654 . ? O1 Li1 P1 27.9(2) . . ? O6 Li1 P1 89.2(4) 1_554 . ? O3 Li1 P1 97.9(5) 4_565 . ? O9 Li1 P1 102.2(5) 1_654 1_554 ? O1 Li1 P1 124.5(6) . 1_554 ? O6 Li1 P1 26.6(2) 1_554 1_554 ? O3 Li1 P1 101.5(5) 4_565 1_554 ? P1 Li1 P1 113.4(4) . 1_554 ? O9 Li1 Zn1 122.7(6) 1_654 4_565 ? O1 Li1 Zn1 81.3(4) . 4_565 ? O6 Li1 Zn1 119.3(7) 1_554 4_565 ? O3 Li1 Zn1 35.6(3) 4_565 4_565 ? P1 Li1 Zn1 62.8(2) . 4_565 ? P1 Li1 Zn1 119.7(5) 1_554 4_565 ? O9 Li1 Zn2 126.4(7) 1_654 . ? O1 Li1 Zn2 63.6(4) . . ? O6 Li1 Zn2 34.5(3) 1_554 . ? O3 Li1 Zn2 129.1(7) 4_565 . ? P1 Li1 Zn2 57.4(2) . . ? P1 Li1 Zn2 61.1(2) 1_554 . ? Zn1 Li1 Zn2 108.3(4) 4_565 . ? O9 Li1 Zn1 78.1(5) 1_654 1_655 ? O1 Li1 Zn1 33.2(3) . 1_655 ? O6 Li1 Zn1 95.3(5) 1_554 1_655 ? O3 Li1 Zn1 141.2(5) 4_565 1_655 ? P1 Li1 Zn1 60.1(2) . 1_655 ? P1 Li1 Zn1 116.3(4) 1_554 1_655 ? Zn1 Li1 Zn1 111.0(3) 4_565 1_655 ? Zn2 Li1 Zn1 68.5(3) . 1_655 ? O10 Li2 O5 97.8(6) . . y O10 Li2 O2 118.0(6) . . y O5 Li2 O2 98.2(6) . . y O10 Li2 O4 102.9(6) . 2_466 y O5 Li2 O4 130.8(6) . 2_466 y O2 Li2 O4 109.9(6) . 2_466 y O10 Li2 P2 126.0(6) . 2_465 ? O5 Li2 P2 29.3(2) . 2_465 ? O2 Li2 P2 89.7(5) . 2_465 ? O4 Li2 P2 109.7(5) 2_466 2_465 ? O10 Li2 P2 106.6(5) . 2_466 ? O5 Li2 P2 123.7(5) . 2_466 ? O2 Li2 P2 25.7(2) . 2_466 ? O4 Li2 P2 92.1(5) 2_466 2_466 ? P2 Li2 P2 113.7(4) 2_465 2_466 ? O10 Li2 P1 87.0(5) . 2_466 ? O5 Li2 P1 116.7(5) . 2_466 ? O2 Li2 P1 134.3(6) . 2_466 ? O4 Li2 P1 24.4(2) 2_466 2_466 ? P2 Li2 P1 106.2(4) 2_465 2_466 ? P2 Li2 P1 114.6(4) 2_466 2_466 ? O10 Li2 Zn1 123.1(5) . . ? O5 Li2 Zn1 63.3(4) . . ? O2 Li2 Zn1 35.1(3) . . ? O4 Li2 Zn1 130.8(6) 2_466 . ? P2 Li2 Zn1 57.8(2) 2_465 . ? P2 Li2 Zn1 60.8(2) 2_466 . ? P1 Li2 Zn1 149.9(4) 2_466 . ? O10 Li2 Zn2 70.3(4) . 1_455 ? O5 Li2 Zn2 32.4(3) . 1_455 ? O2 Li2 Zn2 96.2(5) . 1_455 ? O4 Li2 Zn2 152.6(5) 2_466 1_455 ? P2 Li2 Zn2 60.9(2) 2_465 1_455 ? P2 Li2 Zn2 115.2(4) 2_466 1_455 ? P1 Li2 Zn2 129.2(4) 2_466 1_455 ? Zn1 Li2 Zn2 68.6(3) . 1_455 ? O10 Li2 Zn2 107.3(5) . 2_466 ? O5 Li2 Zn2 152.6(6) . 2_466 ? O2 Li2 Zn2 79.8(4) . 2_466 ? O4 Li2 Zn2 32.9(3) 2_466 2_466 ? P2 Li2 Zn2 123.5(4) 2_465 2_466 ? P2 Li2 Zn2 59.4(2) 2_466 2_466 ? P1 Li2 Zn2 55.5(2) 2_466 2_466 ? Zn1 Li2 Zn2 109.3(4) . 2_466 ? Zn2 Li2 Zn2 173.7(4) 1_455 2_466 ? P1 O1 Zn1 127.8(3) . 1_655 ? P1 O1 Li1 115.4(6) . . ? Zn1 O1 Li1 113.3(5) 1_655 . ? P2 O2 Zn1 130.7(3) 2_466 . ? P2 O2 Li2 120.0(5) 2_466 . ? Zn1 O2 Li2 109.2(4) . . ? P2 O3 Zn1 115.0(3) 2_465 . ? P2 O3 Li1 127.2(5) 2_465 4_465 ? Zn1 O3 Li1 108.5(4) . 4_465 ? P1 O4 Zn2 116.8(3) . . ? P1 O4 Li2 123.4(5) . 2_566 ? Zn2 O4 Li2 114.2(4) . 2_566 ? P2 O5 Zn2 130.2(3) 2_465 1_455 ? P2 O5 Li2 112.1(5) 2_465 . ? Zn2 O5 Li2 114.8(4) 1_455 . ? P1 O6 Zn2 131.5(3) . 1_556 ? P1 O6 Li1 117.7(4) . 1_556 ? Zn2 O6 Li1 110.7(4) 1_556 1_556 ? P1 O7 Zn1 140.1(3) 4_465 . ? P2 O8 Zn2 133.0(3) 1_556 1_556 ? Li1 O9 H1 112.8(6) 1_456 . y Li1 O9 H2 113.3(7) 1_456 . y H1 O9 H2 109.8(5) . . y Li2 O10 H3 111.2(6) . . y _refine_diff_density_max 0.378 _refine_diff_density_min -0.378 _refine_diff_density_rms 0.101