#------------------------------------------------------------------------------ #$Date: 2016-02-19 14:29:56 +0000 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: svn://www.crystallography.net/cod/cif/2/00/89/2008912.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_2008912 loop_ _publ_author_name 'Graia, Mohsen' 'Driss, Ahmed' 'Jouini, Tahar' _publ_section_title ; Polyphosphates de strontium Sr(PO~3~)~2~ formes \b et \g ; _journal_issue 9 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1395 _journal_page_last 1398 _journal_paper_doi 10.1107/S0108270199003637 _journal_volume 55 _journal_year 1999 _chemical_formula_iupac 'Sr(PO3 )2 ' _chemical_formula_moiety 'O6 P2 Sr' _chemical_formula_structural Sr(PO3)2 _chemical_formula_sum 'O6 P2 Sr' _chemical_formula_weight 245.56 _chemical_name_systematic ; Polyphosphate de strontium Sr(PO~3~)~2~ forme \b ; _space_group_IT_number 14 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _audit_creation_method SHELXL _cell_angle_alpha 90.00 _cell_angle_beta 90.640(10) _cell_angle_gamma 90.00 _cell_formula_units_Z 8 _cell_length_a 7.2090(10) _cell_length_b 7.9527(7) _cell_length_c 17.414(3) _cell_measurement_reflns_used 25 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 14.89 _cell_measurement_theta_min 11.62 _cell_volume 998.3(2) _computing_cell_refinement 'CAD4 EXPRESS' _computing_data_collection ; CAD4 EXPRESS (Enraf-Nonius, 1994; Duisenberg, 1992; Mac\'i\2sigma(I) _cod_data_source_file gs1011.cif _cod_data_source_block phase\b _cod_depositor_comments ; The following automatic conversions were performed: '_exptl_crystal_density_meas' value 'non-mesur\'ee' was changed to '?' - the value is perceived as not measured. Automatic conversion script Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas The following automatic conversions were performed: '_refine_ls_weighting_scheme' value 'calc w = 1/[\s^2^(Fo^2^)+(0.0271P)^2^+3.6358P] where P=(Fo^2^+2Fc^2^)/3' was changed to 'calc'. New tag '_refine_ls_weighting_details' was created. The value of the new tag was set to 'w = 1/[\s^2^(Fo^2^)+(0.0271P)^2^+3.6358P] where P=(Fo^2^+2Fc^2^)/3'. Automatic conversion script Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas ; _cod_original_sg_symbol_H-M 'P 21/c' _cod_database_code 2008912 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y+1/2, z+1/2' '-x, -y, -z' '-x, y-1/2, -z-1/2' 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 0.0091(2) 0.0090(2) 0.0097(2) 0.00010(10) 0.00110(10) -0.00140(10) Sr2 0.0089(2) 0.0115(2) 0.0096(2) 0.00040(10) 0.00020(10) -0.00070(10) P1 0.0073(5) 0.0085(5) 0.0079(4) -0.0003(4) 0.0010(4) 0.0007(4) P2 0.0070(5) 0.0080(5) 0.0062(4) -0.0001(4) 0.0002(4) 0.0004(4) P3 0.0080(5) 0.0073(5) 0.0063(4) -0.0005(4) 0.0017(4) 0.0008(4) P4 0.0086(5) 0.0077(5) 0.0088(5) -0.0004(4) 0.0016(4) 0.0007(4) O1 0.013(2) 0.0080(10) 0.0140(10) 0.0010(10) 0.0010(10) 0.0000(10) O2 0.0110(10) 0.017(2) 0.0070(10) 0.0010(10) -0.0030(10) -0.0030(10) O3 0.018(2) 0.0080(10) 0.0090(10) -0.0010(10) 0.0020(10) 0.0000(10) O4 0.013(2) 0.018(2) 0.0100(10) -0.0020(10) 0.0030(10) 0.0030(10) O5 0.0100(10) 0.017(2) 0.0090(10) -0.0010(10) 0.0050(10) -0.0040(10) O6 0.014(2) 0.013(2) 0.0130(10) -0.0020(10) 0.0050(10) -0.0050(10) O7 0.016(2) 0.013(2) 0.0140(10) 0.0060(10) 0.0060(10) 0.0080(10) O8 0.015(2) 0.010(2) 0.0120(10) -0.0030(10) 0.0010(10) -0.0020(10) O9 0.013(2) 0.016(2) 0.0140(10) -0.0020(10) -0.0020(10) -0.0020(10) O10 0.0080(10) 0.039(2) 0.0090(10) 0.003(2) 0.0010(10) 0.0000(10) O11 0.0080(10) 0.020(2) 0.018(2) 0.0020(10) -0.0020(10) -0.0050(10) O12 0.017(2) 0.008(2) 0.018(2) 0.0000(10) -0.0040(10) 0.0000(10) loop_ _atom_site_label _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_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_group _atom_site_type_symbol Sr1 0.98159(6) 0.61569(5) 0.60328(2) 0.00930(10) Uani d . 1 . Sr Sr2 0.51737(6) 0.15975(5) 0.82593(2) 0.01000(10) Uani d . 1 . Sr P1 0.7296(2) 0.01520(10) 0.64285(6) 0.0079(2) Uani d . 1 . P P2 0.1288(2) 0.01350(10) 0.69361(6) 0.0071(2) Uani d . 1 . P P3 0.6377(2) 0.30260(10) 0.54011(6) 0.0072(2) Uani d . 1 . P P4 0.2422(2) 0.28790(10) 0.59005(6) 0.0084(2) Uani d . 1 . P O1 0.1593(4) 0.8296(4) 0.6820(2) 0.0114(6) Uani d . 1 . O O2 0.1971(4) 0.0929(4) 0.7656(2) 0.0115(6) Uani d . 1 . O O3 0.2065(5) 0.1003(4) 0.6188(2) 0.0118(6) Uani d . 1 . O O4 0.6898(5) 0.3199(5) -0.5423(2) 0.0137(7) Uani d . 1 . O O5 -0.5763(4) 0.2555(4) 0.5415(2) 0.0119(6) Uani d . 1 . O O6 0.6749(5) 0.4452(4) 0.5932(2) 0.0133(6) Uani d . 1 . O O7 0.7369(5) 0.1347(4) 0.5700(2) 0.0143(7) Uani d . 1 . O O8 0.2716(5) 0.4065(4) 0.6557(2) 0.0125(6) Uani d . 1 . O O9 0.9121(5) 0.8375(5) 0.9633(2) 0.0144(7) Uani d . 1 . O O10 0.5700(5) 0.0564(5) 0.6926(2) 0.0187(8) Uani d . 1 . O O11 0.9138(4) 0.0622(5) 0.6887(2) 0.0155(7) Uani d . 1 . O O12 0.7415(5) 0.8393(4) 0.6138(2) 0.0143(7) Uani d . 1 . O loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 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' 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 _geom_angle_publ_flag O12 Sr1 O9 . 2_564 80.46(11) n O12 Sr1 O1 . 1_655 80.08(11) n O9 Sr1 O1 2_564 1_655 121.46(11) n O12 Sr1 O6 . . 77.64(11) n O9 Sr1 O6 2_564 . 81.45(11) n O1 Sr1 O6 1_655 . 144.54(10) n O12 Sr1 O9 . 4_757 147.57(11) n O9 Sr1 O9 2_564 4_757 75.63(12) n O1 Sr1 O9 1_655 4_757 131.36(11) n O6 Sr1 O9 . 4_757 77.41(11) n O12 Sr1 O2 . 4_667 68.84(11) n O9 Sr1 O2 2_564 4_667 139.09(11) n O1 Sr1 O2 1_655 4_667 79.98(10) n O6 Sr1 O2 . 4_667 66.40(10) n O9 Sr1 O2 4_757 4_667 118.25(11) n O12 Sr1 O4 . 3_765 121.02(11) n O9 Sr1 O4 2_564 3_765 75.69(11) n O1 Sr1 O4 1_655 3_765 68.76(11) n O6 Sr1 O4 . 3_765 146.70(10) n O9 Sr1 O4 4_757 3_765 73.69(11) n O2 Sr1 O4 4_667 3_765 143.57(10) n O12 Sr1 O8 . 1_655 155.82(10) n O9 Sr1 O8 2_564 1_655 122.81(10) n O1 Sr1 O8 1_655 1_655 81.46(10) n O6 Sr1 O8 . 1_655 109.98(10) n O9 Sr1 O8 4_757 1_655 54.82(10) n O2 Sr1 O8 4_667 1_655 92.67(9) n O4 Sr1 O8 3_765 1_655 65.26(10) n O12 Sr1 P4 . 1_655 171.58(8) n O9 Sr1 P4 2_564 1_655 99.25(8) n O1 Sr1 P4 1_655 1_655 106.92(8) n O6 Sr1 P4 . 1_655 93.98(8) n O9 Sr1 P4 4_757 1_655 27.18(7) n O2 Sr1 P4 4_667 1_655 107.27(8) n O4 Sr1 P4 3_765 1_655 66.69(8) n O8 Sr1 P4 1_655 1_655 27.64(7) n O12 Sr1 P3 . . 92.23(8) n O9 Sr1 P3 2_564 . 71.53(8) n O1 Sr1 P3 1_655 . 162.91(8) n O6 Sr1 P3 . . 19.10(7) n O9 Sr1 P3 4_757 . 59.62(8) n O2 Sr1 P3 4_667 . 83.01(7) n O4 Sr1 P3 3_765 . 127.80(8) n O8 Sr1 P3 1_655 . 101.11(7) n P4 Sr1 P3 1_655 . 79.76(3) n O12 Sr1 P2 . 1_665 63.41(8) n O9 Sr1 P2 2_564 1_665 109.91(9) n O1 Sr1 P2 1_655 1_665 17.76(7) n O6 Sr1 P2 . 1_665 135.89(8) n O9 Sr1 P2 4_757 1_665 146.18(8) n O2 Sr1 P2 4_667 1_665 80.25(8) n O4 Sr1 P2 3_765 1_665 75.58(8) n O8 Sr1 P2 1_655 1_665 99.19(7) n P4 Sr1 P2 1_655 1_665 124.04(3) n P3 Sr1 P2 . 1_665 154.18(3) n O12 Sr1 P2 . 4_667 85.97(8) n O9 Sr1 P2 2_564 4_667 155.79(8) n O1 Sr1 P2 1_655 4_667 75.14(8) n O6 Sr1 P2 . 4_667 76.09(7) n O9 Sr1 P2 4_757 4_667 107.64(8) n O2 Sr1 P2 4_667 4_667 18.58(7) n O4 Sr1 P2 3_765 4_667 128.50(7) n O8 Sr1 P2 1_655 4_667 74.26(7) n P4 Sr1 P2 1_655 4_667 91.29(3) n P3 Sr1 P2 . 4_667 89.19(3) n P2 Sr1 P2 1_665 4_667 81.11(2) n O10 Sr2 O8 . 4_657 76.06(11) n O10 Sr2 O2 . . 72.43(10) n O8 Sr2 O2 4_657 . 114.79(11) n O10 Sr2 O12 . 4_657 132.71(11) n O8 Sr2 O12 4_657 4_657 145.23(10) n O2 Sr2 O12 . 4_657 68.42(10) n O10 Sr2 O4 . 2_556 139.87(11) n O8 Sr2 O4 4_657 2_556 70.08(11) n O2 Sr2 O4 . 2_556 142.01(10) n O12 Sr2 O4 4_657 2_556 86.99(10) n O10 Sr2 O6 . 4_657 111.89(12) n O8 Sr2 O6 4_657 4_657 74.69(10) n O2 Sr2 O6 . 4_657 66.95(10) n O12 Sr2 O6 4_657 4_657 75.67(11) n O4 Sr2 O6 2_556 4_657 79.46(11) n O10 Sr2 O1 . 4_657 88.65(11) n O8 Sr2 O1 4_657 4_657 83.51(10) n O2 Sr2 O1 . 4_657 148.34(10) n O12 Sr2 O1 4_657 4_657 111.88(10) n O4 Sr2 O1 2_556 4_657 67.03(10) n O6 Sr2 O1 4_657 4_657 144.71(10) n O10 Sr2 O10 . 4_667 105.07(9) n O8 Sr2 O10 4_657 4_667 154.35(10) n O2 Sr2 O10 . 4_667 89.31(10) n O12 Sr2 O10 4_657 4_667 50.19(10) n O4 Sr2 O10 2_556 4_667 96.76(10) n O6 Sr2 O10 4_657 4_667 125.84(9) n O1 Sr2 O10 4_657 4_667 70.98(9) n O10 Sr2 P1 . 4_667 120.63(9) n O8 Sr2 P1 4_657 4_667 162.89(7) n O2 Sr2 P1 . 4_667 76.58(8) n O12 Sr2 P1 4_657 4_667 24.47(8) n O4 Sr2 P1 2_556 4_667 93.05(8) n O6 Sr2 P1 4_657 4_667 100.08(8) n O1 Sr2 P1 4_657 4_667 92.66(7) n O10 Sr2 P1 4_667 4_667 25.76(6) n O10 Sr2 P4 . 4_657 91.68(9) n O8 Sr2 P4 4_657 4_657 17.26(7) n O2 Sr2 P4 . 4_657 114.03(8) n O12 Sr2 P4 4_657 4_657 128.00(8) n O4 Sr2 P4 2_556 4_657 59.12(8) n O6 Sr2 P4 4_657 4_657 61.16(8) n O1 Sr2 P4 4_657 4_657 91.10(7) n O10 Sr2 P4 4_667 4_657 154.77(6) n P1 Sr2 P4 4_667 4_657 147.53(3) n O10 Sr2 P1 . . 15.44(8) n O8 Sr2 P1 4_657 . 67.23(7) n O2 Sr2 P1 . . 87.83(7) n O12 Sr2 P1 4_657 . 145.32(8) n O4 Sr2 P1 2_556 . 125.16(8) n O6 Sr2 P1 4_657 . 118.89(8) n O1 Sr2 P1 4_657 . 75.39(7) n O10 Sr2 P1 4_667 . 107.26(6) n P1 Sr2 P1 4_667 . 127.96(3) n P4 Sr2 P1 4_657 . 84.12(3) n O10 Sr2 Sr1 . 4_757 96.72(8) n O8 Sr2 Sr1 4_657 4_757 47.49(8) n O2 Sr2 Sr1 . 4_757 161.95(8) n O12 Sr2 Sr1 4_657 4_757 127.20(8) n O4 Sr2 Sr1 2_556 4_757 43.98(7) n O6 Sr2 Sr1 4_657 4_757 105.72(8) n O1 Sr2 Sr1 4_657 4_757 41.26(7) n O10 Sr2 Sr1 4_667 4_757 107.71(6) n P1 Sr2 Sr1 4_667 4_757 121.43(2) n P4 Sr2 Sr1 4_657 4_757 50.60(2) n P1 Sr2 Sr1 . 4_757 81.51(2) n O10 P1 O12 . 1_545 117.0(2) n O10 P1 O7 . . 111.5(2) n O12 P1 O7 1_545 . 106.8(2) n O10 P1 O11 . . 107.7(2) n O12 P1 O11 1_545 . 109.9(2) n O7 P1 O11 . . 103.1(2) n O10 P1 Sr2 . 4_657 71.3(2) n O12 P1 Sr2 1_545 4_657 45.86(14) n O7 P1 Sr2 . 4_657 130.59(14) n O11 P1 Sr2 . 4_657 123.64(14) n O10 P1 Sr1 . 1_545 132.7(2) n O12 P1 Sr1 1_545 1_545 26.78(13) n O7 P1 Sr1 . 1_545 110.01(13) n O11 P1 Sr1 . 1_545 83.49(13) n Sr2 P1 Sr1 4_657 1_545 64.94(2) n O10 P1 Sr2 . . 26.62(13) n O12 P1 Sr2 1_545 . 127.19(14) n O7 P1 Sr2 . . 121.07(13) n O11 P1 Sr2 . . 81.17(13) n Sr2 P1 Sr2 4_657 . 84.19(3) n Sr1 P1 Sr2 1_545 . 128.71(3) n O2 P2 O1 . 1_545 118.9(2) n O2 P2 O3 . . 113.2(2) n O1 P2 O3 1_545 . 105.2(2) n O2 P2 O11 . 1_455 104.8(2) n O1 P2 O11 1_545 1_455 111.9(2) n O3 P2 O11 . 1_455 101.7(2) n O2 P2 Sr1 . 1_445 144.88(14) n O1 P2 Sr1 1_545 1_445 31.03(13) n O3 P2 Sr1 . 1_445 97.21(13) n O11 P2 Sr1 1_455 1_445 84.85(13) n O2 P2 Sr1 . 4_657 34.58(13) n O1 P2 Sr1 1_545 4_657 112.04(13) n O3 P2 Sr1 . 4_657 140.23(13) n O11 P2 Sr1 1_455 4_657 77.33(12) n Sr1 P2 Sr1 1_445 4_657 121.95(3) n O6 P3 O4 . 1_556 118.8(2) n O6 P3 O5 . 1_655 109.8(2) n O4 P3 O5 1_556 1_655 106.9(2) n O6 P3 O7 . . 111.0(2) n O4 P3 O7 1_556 . 105.9(2) n O5 P3 O7 1_655 . 103.3(2) n O6 P3 Sr1 . . 34.88(13) n O4 P3 Sr1 1_556 . 92.83(14) n O5 P3 Sr1 1_655 . 143.88(13) n O7 P3 Sr1 . . 99.82(14) n O9 P4 O8 4_657 . 114.0(2) n O9 P4 O5 4_657 1_655 108.9(2) n O8 P4 O5 . 1_655 113.5(2) n O9 P4 O3 4_657 . 108.7(2) n O8 P4 O3 . . 111.8(2) n O5 P4 O3 1_655 . 98.8(2) n O9 P4 Sr1 4_657 1_455 53.15(14) n O8 P4 Sr1 . 1_455 60.86(14) n O3 P4 Sr1 . 1_455 129.62(13) n O9 P4 Sr2 4_657 4_667 112.02(15) n O8 P4 Sr2 . 4_667 30.29(13) n O5 P4 Sr2 1_655 4_667 87.44(13) n O3 P4 Sr2 . 4_667 134.15(13) n Sr1 P4 Sr2 1_455 4_667 66.31(2) n P2 O1 Sr1 1_565 1_455 131.2(2) n P2 O1 Sr2 1_565 4_667 128.7(2) n Sr1 O1 Sr2 1_455 4_667 93.92(10) n P2 O2 Sr2 . . 136.0(2) n P2 O2 Sr1 . 4_657 126.8(2) n Sr2 O2 Sr1 . 4_657 94.39(10) n P2 O3 P4 . . 136.5(2) n P3 O4 Sr2 1_554 2_553 136.9(2) n P3 O4 Sr1 1_554 3_765 129.5(2) n Sr2 O4 Sr1 2_553 3_765 93.16(10) n P4 O5 P3 1_455 1_455 140.9(2) n P3 O6 Sr1 . . 126.0(2) n P3 O6 Sr2 . 4_667 137.6(2) n Sr1 O6 Sr2 . 4_667 94.52(11) n P1 O7 P3 . . 137.9(2) n P4 O8 Sr2 . 4_667 132.5(2) n P4 O8 Sr1 . 1_455 91.5(2) n Sr2 O8 Sr1 4_667 1_455 90.78(11) n P4 O9 Sr1 4_667 2_565 141.4(2) n P4 O9 Sr1 4_667 4_767 99.7(2) n Sr1 O9 Sr1 2_565 4_767 104.38(12) n P1 O10 Sr2 . . 137.9(2) n P1 O10 Sr2 . 4_657 83.0(2) n Sr2 O10 Sr2 . 4_657 112.48(12) n P1 O11 P2 . 1_655 140.9(2) n P1 O12 Sr1 1_565 . 137.6(2) n P1 O12 Sr2 1_565 4_667 109.7(2) n Sr1 O12 Sr2 . 4_667 98.11(12) n 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 O12 . 2.490(3) n Sr1 O9 2_564 2.512(3) n Sr1 O1 1_655 2.525(3) n Sr1 O6 . 2.598(3) n Sr1 O9 4_757 2.616(4) n Sr1 O2 4_667 2.641(3) n Sr1 O4 3_765 2.657(3) n Sr1 O8 1_655 2.816(3) n Sr1 P4 1_655 3.2232(13) n Sr1 P3 . 3.6735(12) n Sr1 P2 1_665 3.6845(12) n Sr1 P2 4_667 3.7238(13) n Sr2 O10 . 2.496(3) n Sr2 O8 4_657 2.542(3) n Sr2 O2 . 2.581(3) n Sr2 O12 4_657 2.582(4) n Sr2 O4 2_556 2.602(3) n Sr2 O6 4_657 2.619(3) n Sr2 O1 4_657 2.699(3) n Sr2 O10 4_667 3.233(4) n Sr2 P1 4_667 3.3879(13) n Sr2 P4 4_657 3.7195(13) n Sr2 P1 . 3.7329(13) n Sr2 Sr1 4_757 3.8197(8) n P1 O10 . 1.484(3) n P1 O12 1_545 1.490(4) n P1 O7 . 1.586(3) n P1 O11 . 1.586(3) n P1 Sr2 4_657 3.3880(13) n P1 Sr1 1_545 3.7283(13) n P2 O2 . 1.483(3) n P2 O1 1_545 1.494(3) n P2 O3 . 1.582(3) n P2 O11 1_455 1.599(3) n P2 Sr1 1_445 3.6844(12) n P2 Sr1 4_657 3.7238(13) n P3 O6 . 1.486(3) n P3 O4 1_556 1.494(3) n P3 O5 1_655 1.588(3) n P3 O7 . 1.599(3) n P4 O9 4_657 1.494(3) n P4 O8 . 1.496(3) n P4 O5 1_655 1.587(3) n P4 O3 . 1.595(3) n P4 Sr1 1_455 3.2233(13) n P4 Sr2 4_667 3.7195(13) n O1 P2 1_565 1.494(3) n O1 Sr1 1_455 2.525(3) n O1 Sr2 4_667 2.699(3) n O2 Sr1 4_657 2.641(3) n O4 P3 1_554 1.494(3) n O4 Sr2 2_553 2.602(3) n O4 Sr1 3_765 2.657(3) n O5 P4 1_455 1.587(3) n O5 P3 1_455 1.588(3) n O6 Sr2 4_667 2.619(3) n O8 Sr2 4_667 2.542(3) n O8 Sr1 1_455 2.816(3) n O9 P4 4_667 1.494(3) n O9 Sr1 2_565 2.512(3) n O9 Sr1 4_767 2.616(4) n O10 Sr2 4_657 3.232(4) n O11 P2 1_655 1.599(3) n O12 P1 1_565 1.490(4) n O12 Sr2 4_667 2.582(4) n