#------------------------------------------------------------------------------ #$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $ #$Revision: 25271 $ #$URL: svn://www.crystallography.net/cod/cif/2/2200911.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2200911 loop_ _publ_author_name 'Ouarsal, Rachid' 'Tahiri, Aziz Alaoui' 'Bali, Brahim El' 'Lachkar, Mohammed' 'Bolte, Michael' _publ_section_title ; Strontium dihydrogenphosphite ; _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i19 _journal_page_last i20 _journal_volume 58 _journal_year 2002 _chemical_formula_iupac 'Sr (H2 P O3)2' _chemical_formula_moiety 'Sr (H2 P O3)2' _chemical_formula_sum 'H4 O6 P2 Sr' _chemical_formula_weight 249.59 _chemical_name_systematic ; ; ; _space_group_IT_number 2 _symmetry_cell_setting triclinic _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 97.870(10) _cell_angle_beta 104.510(10) _cell_angle_gamma 106.550(10) _cell_formula_units_Z 2 _cell_length_a 5.7970(10) _cell_length_b 7.2060(10) _cell_length_c 8.0680(10) _cell_measurement_reflns_used 688 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 28.2 _cell_measurement_theta_min 3.6 _cell_volume 304.78(8) _computing_cell_refinement X-Area _computing_data_collection 'X-Area (Stoe & Cie, 2001)' _computing_data_reduction X-Area _computing_molecular_graphics 'XP in SHELXTL-Plus (Sheldrick, 1991)' _computing_structure_refinement 'SHELXL97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS97 (Sheldrick, 1990)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full .997 _diffrn_measured_fraction_theta_max .997 _diffrn_measurement_device_type 'Stoe IPDS-II two-circle' _diffrn_measurement_method \w _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength .71073 _diffrn_reflns_av_R_equivalents .0000 _diffrn_reflns_av_sigmaI/netI .0540 _diffrn_reflns_limit_h_max 6 _diffrn_reflns_limit_h_min -6 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_l_max 9 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_number 1079 _diffrn_reflns_theta_full 25.02 _diffrn_reflns_theta_max 25.02 _diffrn_reflns_theta_min 2.68 _diffrn_standards_decay_% 0 _diffrn_standards_interval_time 0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 9.330 _exptl_absorpt_correction_T_max .394 _exptl_absorpt_correction_T_min .121 _exptl_absorpt_correction_type empirical _exptl_absorpt_process_details '(MULABS; Spek, 1990; Blessing, 1995)' _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 2.720 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 240 _exptl_crystal_size_max .30 _exptl_crystal_size_mid .20 _exptl_crystal_size_min .10 _refine_diff_density_max 1.126 _refine_diff_density_min -3.049 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.093 _refine_ls_hydrogen_treatment undef _refine_ls_matrix_type full _refine_ls_number_parameters 82 _refine_ls_number_reflns 1079 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.093 _refine_ls_R_factor_all .0701 _refine_ls_R_factor_gt .0681 _refine_ls_shift/su_max <0.001 _refine_ls_shift/su_mean .000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w = 1/[\s^2^(Fo^2^)+(0.1484P)^2^+0.2956P] where P = (Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt .1718 _refine_ls_wR_factor_ref .1815 _reflns_number_gt 1045 _reflns_number_total 1079 _reflns_threshold_expression I>2\s(I) _[local]_cod_data_source_file mg6000.cif _[local]_cod_data_source_block I _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic' according to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana ; _cod_database_code 2200911 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy _atom_site_type_symbol Sr1 .33592(11) .71364(8) .54372(7) .0188(4) Uani d 1 Sr P1 .0494(3) .2700(3) .1686(2) .0196(5) Uani d 1 P P2 .6732(3) .7585(3) .2775(2) .0197(5) Uani d 1 P O11 .2053(10) .1397(7) .2166(7) .0250(11) Uani d 1 O O12 .0159(10) .3956(7) .3198(7) .0275(12) Uani d 1 O O13 -.2258(11) .1353(9) .0457(7) .0346(14) Uani d 1 O O21 .9745(10) .8174(9) .3197(8) .0281(13) Uani d 1 O O22 .5976(9) .9242(7) .3546(7) .0251(11) Uani d 1 O O23 .5786(10) .5712(7) .3411(7) .0274(11) Uani d 1 O loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Sr1 .0186(6) .0181(6) .0202(5) .0075(4) .0066(3) .0019(3) P1 .0202(10) .0209(10) .0171(9) .0091(7) .0039(7) .0009(8) P2 .0206(10) .0199(10) .0196(10) .0082(7) .0073(7) .0020(7) O11 .026(3) .025(3) .024(2) .012(2) .005(2) -.001(2) O12 .026(3) .028(3) .029(3) .011(2) .011(2) -.002(2) O13 .027(3) .034(3) .033(3) .013(2) -.002(2) -.009(2) O21 .017(3) .035(3) .033(3) .010(2) .008(2) .005(3) O22 .030(3) .016(2) .029(2) .0056(19) .012(2) .001(2) O23 .025(3) .022(2) .035(3) .008(2) .009(2) .007(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P .1023 .0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle O23 Sr1 O22 2_666 2_676 140.71(17) O23 Sr1 O12 2_666 2_566 78.17(17) O22 Sr1 O12 2_676 2_566 92.93(16) O23 Sr1 O12 2_666 . 73.93(17) O22 Sr1 O12 2_676 . 141.35(17) O12 Sr1 O12 2_566 . 76.01(18) O23 Sr1 O11 2_666 2_666 73.45(16) O22 Sr1 O11 2_676 2_666 75.10(16) O12 Sr1 O11 2_566 2_666 112.57(17) O12 Sr1 O11 . 2_666 143.43(16) O23 Sr1 O23 2_666 . 74.40(18) O22 Sr1 O23 2_676 . 124.68(15) O12 Sr1 O23 2_566 . 142.20(16) O12 Sr1 O23 . . 71.76(15) O11 Sr1 O23 2_666 . 83.90(16) O23 Sr1 O22 2_666 . 125.07(16) O22 Sr1 O22 2_676 . 71.17(18) O12 Sr1 O22 2_566 . 156.53(17) O12 Sr1 O22 . . 105.36(16) O11 Sr1 O22 2_666 . 80.69(16) O23 Sr1 O22 . . 55.05(14) O23 Sr1 O21 2_666 1_455 143.02(17) O22 Sr1 O21 2_676 1_455 70.55(17) O12 Sr1 O21 2_566 1_455 81.72(17) O12 Sr1 O21 . 1_455 71.24(17) O11 Sr1 O21 2_666 1_455 143.43(17) O23 Sr1 O21 . 1_455 105.52(17) O22 Sr1 O21 . 1_455 76.79(16) O23 Sr1 P2 2_666 . 100.21(12) O22 Sr1 P2 2_676 . 97.89(12) O12 Sr1 P2 2_566 . 164.08(12) O12 Sr1 P2 . . 88.29(12) O11 Sr1 P2 2_666 . 81.63(12) O23 Sr1 P2 . . 27.69(11) O22 Sr1 P2 . . 27.36(10) O21 Sr1 P2 1_455 . 90.89(12) O23 Sr1 P1 2_666 2_566 87.73(12) O22 Sr1 P1 2_676 2_566 74.74(11) O12 Sr1 P1 2_566 2_566 19.96(11) O12 Sr1 P1 . 2_566 95.45(12) O11 Sr1 P1 2_666 2_566 99.35(12) O23 Sr1 P1 . 2_566 160.21(11) O22 Sr1 P1 . 2_566 144.69(11) O21 Sr1 P1 1_455 2_566 83.56(12) P2 Sr1 P1 . 2_566 171.91(5) O23 Sr1 P1 2_666 2_666 55.04(12) O22 Sr1 P1 2_676 2_666 95.42(12) O12 Sr1 P1 2_566 2_666 111.94(13) O12 Sr1 P1 . 2_666 123.15(12) O11 Sr1 P1 2_666 2_666 20.32(11) O23 Sr1 P1 . 2_666 71.88(12) O22 Sr1 P1 . 2_666 87.29(12) O21 Sr1 P1 1_455 2_666 161.41(13) P2 Sr1 P1 . 2_666 78.72(5) P1 Sr1 P1 2_566 2_666 104.98(4) O23 Sr1 P1 2_666 . 72.95(12) O22 Sr1 P1 2_676 . 146.28(12) O12 Sr1 P1 2_566 . 93.58(12) O12 Sr1 P1 . . 18.11(11) O11 Sr1 P1 2_666 . 131.39(11) O23 Sr1 P1 . . 53.76(11) O22 Sr1 P1 . . 91.00(11) O21 Sr1 P1 1_455 . 77.73(13) P2 Sr1 P1 . . 71.00(4) P1 Sr1 P1 2_566 . 113.28(3) P1 Sr1 P1 2_666 . 112.55(3) O12 P1 O11 . . 115.9(3) O12 P1 O13 . . 106.9(3) O11 P1 O13 . . 109.3(3) O12 P1 Sr1 . 2_566 35.2(2) O11 P1 Sr1 . 2_566 110.2(2) O13 P1 Sr1 . 2_566 77.1(2) O12 P1 Sr1 . 2_666 89.5(2) O11 P1 Sr1 . 2_666 38.3(2) O13 P1 Sr1 . 2_666 146.9(2) Sr1 P1 Sr1 2_566 2_666 104.98(4) O12 P1 Sr1 . . 32.4(2) O11 P1 Sr1 . . 103.8(2) O13 P1 Sr1 . . 137.5(2) Sr1 P1 Sr1 2_566 . 66.72(3) Sr1 P1 Sr1 2_666 . 67.45(3) O22 P2 O23 . . 112.3(3) O22 P2 O21 . . 112.4(3) O23 P2 O21 . . 108.2(3) O22 P2 Sr1 . . 56.80(19) O23 P2 Sr1 . . 55.5(2) O21 P2 Sr1 . . 129.4(2) P1 O11 Sr1 . 2_666 121.4(3) P1 O12 Sr1 . 2_566 124.9(3) P1 O12 Sr1 . . 129.5(3) Sr1 O12 Sr1 2_566 . 103.99(18) P2 O21 Sr1 . 1_655 133.3(3) P2 O22 Sr1 . 2_676 152.2(3) P2 O22 Sr1 . . 95.8(2) Sr1 O22 Sr1 2_676 . 108.83(17) P2 O23 Sr1 . 2_666 148.8(3) P2 O23 Sr1 . . 96.8(2) Sr1 O23 Sr1 2_666 . 105.60(18) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Sr1 O23 2_666 2.489(5) y Sr1 O22 2_676 2.513(5) y Sr1 O12 2_566 2.537(5) y Sr1 O12 . 2.593(5) y Sr1 O11 2_666 2.682(5) y Sr1 O23 . 2.687(5) y Sr1 O22 . 2.723(5) y Sr1 O21 1_455 2.753(6) y Sr1 P2 . 3.2368(19) ? Sr1 P1 2_566 3.614(2) ? Sr1 P1 2_666 3.6935(19) ? Sr1 P1 . 3.7345(19) ? P1 O12 . 1.504(5) y P1 O11 . 1.502(5) y P1 O13 . 1.591(6) y P1 Sr1 2_566 3.614(2) ? P1 Sr1 2_666 3.6935(19) ? P2 O22 . 1.495(5) y P2 O23 . 1.515(5) y P2 O21 . 1.608(5) y O11 Sr1 2_666 2.682(5) ? O12 Sr1 2_566 2.537(5) ? O21 Sr1 1_655 2.753(6) ? O22 Sr1 2_676 2.513(5) ? O23 Sr1 2_666 2.489(5) ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_4 _geom_torsion O23 Sr1 P1 O12 2_666 . 90.4(4) O22 Sr1 P1 O12 2_676 . -86.8(4) O12 Sr1 P1 O12 2_566 . 13.9(5) O11 Sr1 P1 O12 2_666 . 138.5(4) O23 Sr1 P1 O12 . . 173.2(4) O22 Sr1 P1 O12 . . -143.1(4) O21 Sr1 P1 O12 1_455 . -66.8(4) P2 Sr1 P1 O12 . . -162.1(4) P1 Sr1 P1 O12 2_566 . 10.6(4) P1 Sr1 P1 O12 2_666 . 129.4(4) O23 Sr1 P1 O11 2_666 . -26.6(2) O22 Sr1 P1 O11 2_676 . 156.3(3) O12 Sr1 P1 O11 2_566 . -103.0(3) O12 Sr1 P1 O11 . . -116.9(5) O11 Sr1 P1 O11 2_666 . 21.6(4) O23 Sr1 P1 O11 . . 56.3(3) O22 Sr1 P1 O11 . . 100.0(3) O21 Sr1 P1 O11 1_455 . 176.3(2) P2 Sr1 P1 O11 . . 81.0(2) P1 Sr1 P1 O11 2_566 . -106.4(2) P1 Sr1 P1 O11 2_666 . 12.5(2) O23 Sr1 P1 O13 2_666 . 113.8(4) O22 Sr1 P1 O13 2_676 . -63.4(4) O12 Sr1 P1 O13 2_566 . 37.3(4) O12 Sr1 P1 O13 . . 23.4(5) O11 Sr1 P1 O13 2_666 . 161.9(4) O23 Sr1 P1 O13 . . -163.3(4) O22 Sr1 P1 O13 . . -119.6(4) O21 Sr1 P1 O13 1_455 . -43.4(4) P2 Sr1 P1 O13 . . -138.7(4) P1 Sr1 P1 O13 2_566 . 34.0(4) P1 Sr1 P1 O13 2_666 . 152.9(4) O23 Sr1 P1 Sr1 2_666 2_566 79.81(12) O22 Sr1 P1 Sr1 2_676 2_566 -97.4(2) O12 Sr1 P1 Sr1 2_566 2_566 3.34(12) O12 Sr1 P1 Sr1 . 2_566 -10.6(4) O11 Sr1 P1 Sr1 2_666 2_566 127.94(16) O23 Sr1 P1 Sr1 . 2_566 162.69(14) O22 Sr1 P1 Sr1 . 2_566 -153.63(11) O21 Sr1 P1 Sr1 1_455 2_566 -77.38(12) P2 Sr1 P1 Sr1 . 2_566 -172.64(5) P1 Sr1 P1 Sr1 2_566 2_566 .0 P1 Sr1 P1 Sr1 2_666 2_566 118.89(4) O23 Sr1 P1 Sr1 2_666 2_666 -39.08(12) O22 Sr1 P1 Sr1 2_676 2_666 143.7(2) O12 Sr1 P1 Sr1 2_566 2_666 -115.55(12) O12 Sr1 P1 Sr1 . 2_666 -129.4(4) O11 Sr1 P1 Sr1 2_666 2_666 9.05(16) O23 Sr1 P1 Sr1 . 2_666 43.80(14) O22 Sr1 P1 Sr1 . 2_666 87.48(11) O21 Sr1 P1 Sr1 1_455 2_666 163.73(12) P2 Sr1 P1 Sr1 . 2_666 68.47(5) P1 Sr1 P1 Sr1 2_566 2_666 -118.89(4) P1 Sr1 P1 Sr1 2_666 2_666 .0 O23 Sr1 P2 O22 2_666 . -157.3(3) O22 Sr1 P2 O22 2_676 . -12.3(4) O12 Sr1 P2 O22 2_566 . 120.1(5) O12 Sr1 P2 O22 . . 129.4(3) O11 Sr1 P2 O22 2_666 . -85.9(3) O23 Sr1 P2 O22 . . -178.7(4) O21 Sr1 P2 O22 1_455 . 58.2(3) P1 Sr1 P2 O22 2_666 . -106.3(3) P1 Sr1 P2 O22 . . 134.9(3) O23 Sr1 P2 O23 2_666 . 21.4(4) O22 Sr1 P2 O23 2_676 . 166.4(3) O12 Sr1 P2 O23 2_566 . -61.2(5) O12 Sr1 P2 O23 . . -51.9(3) O11 Sr1 P2 O23 2_666 . 92.8(3) O22 Sr1 P2 O23 . . 178.7(4) O21 Sr1 P2 O23 1_455 . -123.1(3) P1 Sr1 P2 O23 2_666 . 72.4(2) P1 Sr1 P2 O23 . . -46.4(2) O23 Sr1 P2 O21 2_666 . -64.4(3) O22 Sr1 P2 O21 2_676 . 80.6(3) O12 Sr1 P2 O21 2_566 . -147.0(5) O12 Sr1 P2 O21 . . -137.7(3) O11 Sr1 P2 O21 2_666 . 7.0(3) O23 Sr1 P2 O21 . . -85.8(4) O22 Sr1 P2 O21 . . 92.9(4) O21 Sr1 P2 O21 1_455 . 151.1(4) P1 Sr1 P2 O21 2_666 . -13.4(3) P1 Sr1 P2 O21 . . -132.2(3) O12 P1 O11 Sr1 . 2_666 -50.9(4) O13 P1 O11 Sr1 . 2_666 -171.7(3) Sr1 P1 O11 Sr1 2_566 2_666 -88.8(3) Sr1 P1 O11 Sr1 . 2_666 -18.8(3) O11 P1 O12 Sr1 . 2_566 -88.7(4) O13 P1 O12 Sr1 . 2_566 33.3(4) Sr1 P1 O12 Sr1 2_666 2_566 -117.5(3) Sr1 P1 O12 Sr1 . 2_566 -163.0(6) O11 P1 O12 Sr1 . . 74.3(5) O13 P1 O12 Sr1 . . -163.7(4) Sr1 P1 O12 Sr1 2_566 . 163.0(6) Sr1 P1 O12 Sr1 2_666 . 45.5(3) O23 Sr1 O12 P1 2_666 . -84.2(4) O22 Sr1 O12 P1 2_676 . 117.4(4) O12 Sr1 O12 P1 2_566 . -165.7(5) O11 Sr1 O12 P1 2_666 . -56.5(5) O23 Sr1 O12 P1 . . -5.7(4) O22 Sr1 O12 P1 . . 38.5(4) O21 Sr1 O12 P1 1_455 . 108.4(4) P2 Sr1 O12 P1 . . 16.9(4) P1 Sr1 O12 P1 2_566 . -170.3(4) P1 Sr1 O12 P1 2_666 . -58.4(4) O23 Sr1 O12 Sr1 2_666 2_566 81.5(2) O22 Sr1 O12 Sr1 2_676 2_566 -76.9(3) O12 Sr1 O12 Sr1 2_566 2_566 .0 O11 Sr1 O12 Sr1 2_666 2_566 109.1(3) O23 Sr1 O12 Sr1 . 2_566 160.0(2) O22 Sr1 O12 Sr1 . 2_566 -155.77(18) O21 Sr1 O12 Sr1 1_455 2_566 -85.9(2) P2 Sr1 O12 Sr1 . 2_566 -177.38(16) P1 Sr1 O12 Sr1 2_566 2_566 -4.57(17) P1 Sr1 O12 Sr1 2_666 2_566 107.29(15) P1 Sr1 O12 Sr1 . 2_566 165.7(5) O22 P2 O21 Sr1 . 1_655 106.3(4) O23 P2 O21 Sr1 . 1_655 -18.3(5) Sr1 P2 O21 Sr1 . 1_655 41.6(5) O23 P2 O22 Sr1 . 2_676 151.9(6) O21 P2 O22 Sr1 . 2_676 29.5(8) Sr1 P2 O22 Sr1 . 2_676 153.0(8) O23 P2 O22 Sr1 . . -1.1(3) O21 P2 O22 Sr1 . . -123.5(3) O23 Sr1 O22 P2 2_666 . 27.7(3) O22 Sr1 O22 P2 2_676 . 167.1(4) O12 Sr1 O22 P2 2_566 . -143.4(3) O12 Sr1 O22 P2 . . -53.2(3) O11 Sr1 O22 P2 2_666 . 89.8(3) O23 Sr1 O22 P2 . . .7(2) O21 Sr1 O22 P2 1_455 . -119.2(3) P1 Sr1 O22 P2 2_566 . -177.18(10) P1 Sr1 O22 P2 2_666 . 70.4(2) P1 Sr1 O22 P2 . . -42.1(2) O23 Sr1 O22 Sr1 2_666 2_676 -139.44(19) O22 Sr1 O22 Sr1 2_676 2_676 .0 O12 Sr1 O22 Sr1 2_566 2_676 49.5(5) O12 Sr1 O22 Sr1 . 2_676 139.64(19) O11 Sr1 O22 Sr1 2_666 2_676 -77.33(19) O23 Sr1 O22 Sr1 . 2_676 -166.4(3) O21 Sr1 O22 Sr1 1_455 2_676 73.7(2) P2 Sr1 O22 Sr1 . 2_676 -167.1(4) P1 Sr1 O22 Sr1 2_566 2_676 15.7(3) P1 Sr1 O22 Sr1 2_666 2_676 -96.67(17) P1 Sr1 O22 Sr1 . 2_676 150.81(16) O22 P2 O23 Sr1 . 2_666 -134.8(5) O21 P2 O23 Sr1 . 2_666 -10.2(7) Sr1 P2 O23 Sr1 . 2_666 -136.0(7) O22 P2 O23 Sr1 . . 1.2(3) O21 P2 O23 Sr1 . . 125.8(3) O23 Sr1 O23 P2 2_666 . -158.1(4) O22 Sr1 O23 P2 2_676 . -16.5(3) O12 Sr1 O23 P2 2_566 . 156.9(2) O12 Sr1 O23 P2 . . 124.1(3) O11 Sr1 O23 P2 2_666 . -83.6(2) O22 Sr1 O23 P2 . . -.7(2) O21 Sr1 O23 P2 1_455 . 60.4(3) P1 Sr1 O23 P2 2_566 . 175.70(15) P1 Sr1 O23 P2 2_666 . -100.4(2) P1 Sr1 O23 P2 . . 121.9(3) O23 Sr1 O23 Sr1 2_666 2_666 .0 O22 Sr1 O23 Sr1 2_676 2_666 141.63(18) O12 Sr1 O23 Sr1 2_566 2_666 -45.0(3) O12 Sr1 O23 Sr1 . 2_666 -77.85(19) O11 Sr1 O23 Sr1 2_666 2_666 74.48(19) O22 Sr1 O23 Sr1 . 2_666 157.4(3) O21 Sr1 O23 Sr1 1_455 2_666 -141.56(18) P2 Sr1 O23 Sr1 . 2_666 158.1(4) P1 Sr1 O23 Sr1 2_566 2_666 -26.2(5) P1 Sr1 O23 Sr1 2_666 2_666 57.68(14) P1 Sr1 O23 Sr1 . 2_666 -80.05(15)