data_global _chemical_name_mineral 'Strontioginorite' loop_ _publ_author_name 'Konnert J A' 'Clark J R' 'Christ C L' _journal_name_full 'American Mineralogist' _journal_volume 55 _journal_year 1970 _journal_page_first 1911 _journal_page_last 1931 _publ_section_title ; Crystal structure of strontioginorite, (Sr,Ca)2B14O20(OH)6.5H2O ; _database_code_amcsd 0000214 _chemical_formula_sum 'Sr Ca B14 O31 H16' _cell_length_a 12.817 _cell_length_b 14.448 _cell_length_c 12.783 _cell_angle_alpha 90 _cell_angle_beta 101.42 _cell_angle_gamma 90 _cell_volume 2320.292 _exptl_crystal_density_diffrn 2.265 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+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 Sr 0.61780 0.17110 0.73640 ? Ca 0.12640 0.21870 0.24630 ? B1 0.39030 0.20100 -0.12360 0.00887 B2 0.43340 0.30310 0.05040 0.01267 B3 0.26220 0.19610 0.01250 0.01013 B4 0.57520 0.25510 -0.04260 0.00887 B5 0.34100 0.25730 0.19200 0.01013 B6 0.30460 0.05710 -0.07960 0.01393 B7 0.39020 0.31890 0.37810 0.00887 B8 0.42230 0.20210 0.53840 0.01140 B9 0.25490 0.31100 0.50490 0.01013 B10 0.57040 0.25460 0.45670 0.01013 B11 0.33640 0.25300 0.68680 0.00633 B12 0.29220 0.45710 0.41520 0.01013 B13 0.40990 0.06680 0.40920 0.01140 B14 0.52470 0.06230 0.27360 0.01140 O1 0.36670 0.23060 -0.01650 0.00760 O2 0.43240 0.28900 0.16350 0.01267 O3 0.26270 0.21560 0.12390 0.01267 O4 0.25740 0.09670 -0.00460 0.01520 O5 0.36450 0.10380 -0.13690 0.01393 O6 0.50320 0.21210 -0.12130 0.01267 O7 0.54430 0.29420 0.04390 0.01520 O-H8 0.29230 -0.03750 -0.10030 0.02660 O-H9 0.38760 0.39220 0.01460 0.02153 O10 0.17740 0.24490 -0.05570 0.01520 O11 0.32210 0.26820 0.29330 0.01140 O12 0.36280 0.28390 0.48160 0.00633 O13 0.41220 0.20400 0.65070 0.01140 O14 0.25890 0.30070 0.61830 0.01140 O15 0.23490 0.40710 0.47570 0.01140 O16 0.36800 0.41750 0.36940 0.01267 O17 0.50300 0.30490 0.38090 0.01013 O18 0.53580 0.21360 0.53990 0.01140 O-H19 0.27070 0.54880 0.39720 0.02406 O20 0.38100 0.11600 0.48980 0.01267 O-H21 0.37300 -0.02190 0.38990 0.01900 O22 0.47420 0.10410 0.34650 0.01646 O-H23 0.50460 -0.02640 0.24150 0.02280 O-H24 0.59520 0.11700 0.23290 0.01900 O25 0.17290 0.25180 0.44190 0.01140 O26 0.32850 0.25680 0.79190 0.01267 Wat1 0.10960 0.14890 0.72070 0.02913 Wat2 0.15370 0.06140 0.27150 0.03293 Wat3 0.23670 0.45020 0.84930 0.02660 Wat4 0.01670 0.03840 0.86610 0.03546 Wat5 0.05090 -0.02460 0.40080 0.03546 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 Sr 0.02119 0.01269 0.01599 0.00074 0.00973 0.00119 Ca 0.01199 0.00740 0.01034 -0.00184 0.00638 0.00000