data_global _chemical_name_mineral 'Volkovskite' loop_ _publ_author_name 'Rastsvetaeva R K' 'Andrianov V I' 'Genkina E A' 'Sokolova T N' 'Kashaev A A' _journal_name_full 'Kristallografiya' _journal_volume 37 _journal_year 1992 _journal_page_first 326 _journal_page_last 333 _publ_section_title ; Crystal structure of volkovskite KCa4B22O32(OH)10Cl*4H2O from Nepkii deposit (E. Siberia) ; _database_code_amcsd 0014191 _chemical_compound_source 'Eastern Siberia' _chemical_formula_sum 'K Ca4 B22 O46 Cl H36' _cell_length_a 6.50 _cell_length_b 23.96 _cell_length_c 6.62 _cell_angle_alpha 95.68 _cell_angle_beta 119.6 _cell_angle_gamma 90.59 _cell_volume 889.957 _exptl_crystal_density_diffrn 2.323 _symmetry_space_group_name_H-M 'P 1' loop_ _space_group_symop_operation_xyz '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 K 0.02270 0.02300 0.03670 0.04534 Ca1 0.81400 0.16530 0.65910 0.03420 Ca2 0.71820 0.58180 0.39040 0.03204 Ca3 0.49720 0.90700 0.02210 0.03293 Ca4 0.19260 0.48900 0.34510 0.03141 B1 0.04200 0.61160 0.08200 0.03166 B2 0.99100 0.89030 0.10800 0.03166 B3 0.30300 0.59990 0.90300 0.03166 B4 0.39500 0.91710 0.42700 0.03040 B5 0.76700 0.47150 0.84000 0.03040 B6 0.40100 0.16090 0.15500 0.03166 B7 0.24100 0.26510 0.56200 0.04179 B8 0.70900 0.15440 0.05800 0.03166 B9 0.22100 0.61270 0.50800 0.03166 B10 0.16400 0.70100 0.33100 0.03926 B11 0.57300 0.37010 0.17200 0.03800 B12 0.08100 0.48060 0.74800 0.03166 B13 0.87200 0.80440 0.82000 0.04053 B14 0.49700 0.45960 0.00600 0.03293 B15 0.13800 0.17190 0.33600 0.03546 B16 0.61200 0.59050 0.80300 0.03040 B17 0.84000 0.28940 0.74800 0.03800 B18 0.31700 0.17910 0.76300 0.03293 B19 0.81300 0.89790 0.68600 0.03420 B20 0.45600 0.78270 0.98300 0.03926 B21 0.67800 0.45820 0.43300 0.03293 B22 0.08100 0.91060 0.51900 0.02913 O1 0.13900 0.15320 0.53900 0.03166 O2 0.81800 0.91520 0.90500 0.03293 O3 0.03600 0.91640 0.70200 0.03546 O4 0.04200 0.58740 0.28000 0.03166 O5 0.91800 0.48790 0.52300 0.03293 O6 0.60400 0.46780 0.61000 0.03166 O7 0.14100 0.60330 0.67600 0.03166 O9 0.83800 0.58910 0.85600 0.03293 O10 0.54100 0.59870 0.96900 0.03293 O11 0.32100 0.91560 0.59100 0.03420 O12 0.24500 0.16700 0.93400 0.03546 O13 0.03600 0.67300 0.11100 0.03420 O14 0.78400 0.83570 0.63900 0.03673 O16 0.23300 0.91430 0.19500 0.03420 O17 0.72300 0.47520 0.02000 0.03293 O18 0.35200 0.15590 0.33300 0.03546 O19 0.27400 0.67240 0.52300 0.03673 O20 0.44500 0.58290 0.57100 0.03166 O21 0.62200 0.92140 0.48700 0.03420 O22 0.51200 0.48370 0.22700 0.03293 O23 0.00800 0.47230 0.90800 0.03166 O24 0.64100 0.15870 0.22700 0.03293 O25 0.92000 0.90140 0.29000 0.03420 O27 0.25400 0.59600 0.07800 0.03166 O28 -0.01800 0.82830 0.04900 0.03673 O30 0.55500 0.15790 0.83100 0.03420 O31 0.93600 0.14620 0.11400 0.03166 O32 0.13000 0.23410 0.34700 0.03546 O33 0.33700 0.24130 0.76300 0.04053 O34 0.70100 0.39820 0.39000 0.03546 O37 0.30700 0.48120 0.80100 0.03293 O42 0.46100 0.39740 0.97600 0.03546 O-H8 0.90300 0.25420 0.91200 0.04306 O-H15 0.53300 0.81720 0.18300 0.04306 O-H26 0.36900 0.81200 0.79600 0.04559 O-H29 0.57100 0.31260 0.15900 0.04939 O-H35 0.86000 0.74730 0.77200 0.05066 O-H36 0.24400 0.32290 0.56500 0.04939 O-H38 0.73700 0.25980 0.53100 0.04559 O-H40 0.86600 0.34620 0.79100 0.05066 O-H41 0.18700 0.75810 0.37300 0.05066 O-H45 0.46700 0.72610 0.97300 0.05319 Cl 0.52880 0.02240 0.06270 0.04382 Wat39 0.71700 0.67780 0.38600 0.04813 Wat43 0.73600 0.06550 0.60100 0.04686 Wat44 0.27600 0.04220 0.52300 0.05826 Wat46 0.13800 0.39360 0.24900 0.04813 H1 -0.01000 0.24300 0.05000 0.04306 H2 0.61000 0.81300 0.34000 0.04306 H3 0.30000 0.79500 0.63000 0.04559 H4 0.48000 0.28900 0.02000 0.04939 H5 0.93000 0.72600 0.88000 0.05066 H6 0.31000 0.34800 0.71000 0.04939 H7 0.68000 0.27600 0.40000 0.04559 H8 0.78000 0.35500 0.65000 0.05066 H9 0.09000 0.77700 0.27000 0.05066 H10 0.39000 0.70900 0.81000 0.05319 H11 0.78000 0.69900 0.53000 0.04813 H12 0.65000 0.68400 0.25000 0.04813 H13 0.58000 0.05800 0.57000 0.04686 H14 0.68000 0.05100 0.43000 0.04686 H15 0.22000 0.07700 0.63000 0.05826 H16 0.33000 0.02700 0.67000 0.05826 H17 0.21000 0.37000 0.38000 0.04813 H18 0.05000 0.37700 0.09000 0.04813