data_global _chemical_name_mineral 'Kampfite' loop_ _publ_author_name 'Basciano L C' 'Groat L A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 45 _journal_year 2007 _journal_page_first 935 _journal_page_last 943 _publ_section_title ; The crystal structure of kampfite ; _database_code_amcsd 0006152 _chemical_compound_source 'Esquire #1 claim, Rush Creek, Fresno County, California' _chemical_formula_sum 'Ba3 (Si2.7 Al1.3) C2 O14 Cl1.24' _cell_length_a 31.2329 _cell_length_b 5.2398 _cell_length_c 9.0966 _cell_angle_alpha 90 _cell_angle_beta 106.933 _cell_angle_gamma 90 _cell_volume 1424.155 _exptl_crystal_density_diffrn 3.800 _symmetry_space_group_name_H-M 'C 1 c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Ba1 0.39588 0.24980 0.05925 1.00000 0.01741 Ba2 0.61035 0.25030 0.27376 1.00000 0.01730 Ba3 0.00309 0.25030 0.33408 1.00000 0.01610 SiT1 0.19850 0.18850 0.52710 0.67500 0.01420 AlT1 0.19850 0.18850 0.52710 0.32500 0.01420 SiT2 0.19884 0.31210 0.19730 0.67500 0.01310 AlT2 0.19884 0.31210 0.19730 0.32500 0.01310 SiT3 0.30741 0.31180 0.30590 0.67500 0.01210 AlT3 0.30741 0.31180 0.30590 0.32500 0.01210 SiT4 0.30768 0.18880 0.63610 0.67500 0.01230 AlT4 0.30768 0.18880 0.63610 0.32500 0.01230 C1 0.07360 0.24830 0.06930 1.00000 0.02000 C2 0.43270 0.24610 0.42890 1.00000 0.01900 O1 0.42990 0.03300 0.35560 1.00000 0.02000 O2 0.43200 0.25500 0.57240 1.00000 0.02300 O3 0.43070 0.46400 0.35450 1.00000 0.02400 O4 0.32720 0.59880 0.27580 1.00000 0.01750 O5 0.32660 0.09820 0.20310 1.00000 0.01650 O6 0.32880 0.23200 0.49070 1.00000 0.02000 O7 0.07630 0.02800 0.00200 1.00000 0.02400 O8 0.07570 0.46100 -0.00030 1.00000 0.02000 O9 0.07410 0.25700 0.21360 1.00000 0.02300 O10 0.17970 0.09870 0.05740 1.00000 0.01770 O11 0.17930 0.59990 0.12620 1.00000 0.01840 O12 0.17760 0.23200 0.33950 1.00000 0.02200 O13 0.25320 0.19570 0.57840 1.00000 0.01780 O14 0.25320 0.31140 0.25570 1.00000 0.01670 Cl1 0.50310 0.24990 0.16750 1.00000 0.01980 Cl2 0.50300 0.25500 0.50000 0.24000 0.02400 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 Ba1 0.01750 0.01970 0.01510 -0.00140 0.00470 0.00140 Ba2 0.01720 0.01960 0.01540 -0.00120 0.00520 -0.00220 Ba3 0.01570 0.01660 0.01600 0.00050 0.00470 -0.00010 SiT1 0.01400 0.01500 0.01100 -0.00130 1.00000 -0.00040 AlT1 0.01400 0.01500 0.01100 -0.00130 1.00000 -0.00040 SiT2 0.01380 0.01280 0.01250 0.00170 0.00370 -0.00030 AlT2 0.01380 0.01280 0.01250 0.00170 0.00370 -0.00030 SiT3 0.01380 0.01100 0.01250 0.00000 0.00540 0.00010 AlT3 0.01380 0.01100 0.01250 0.00000 0.00540 0.00010 SiT4 0.01300 0.01200 0.01300 -0.00030 0.00600 0.00080 AlT4 0.01300 0.01200 0.01300 -0.00030 0.00600 0.00080 C1 0.01900 0.02100 0.01900 -0.00100 0.00700 0.00000 C2 0.01800 0.02100 0.01700 0.00000 0.00500 0.00300 O1 0.02000 0.02200 0.02100 0.00700 0.01000 0.00200 O2 0.02500 0.02300 0.01800 -0.00100 0.00100 0.00800 O3 0.01900 0.03300 0.02200 0.00700 0.00900 -0.00200 O4 0.01900 0.01600 0.01700 -0.00200 0.00400 0.00000 O5 0.01500 0.01600 0.01900 -0.00200 0.00800 -0.00200 O6 0.01700 0.03100 0.01500 0.00600 0.00800 0.00700 O7 0.02300 0.02600 0.02100 -0.00700 0.00300 0.00400 O8 0.02100 0.01700 0.02400 -0.00300 0.00900 -0.00100 O9 0.02400 0.02300 0.02400 0.00100 0.00900 0.00800 O10 0.02000 0.01400 0.01700 -0.00200 0.00100 0.00000 O11 0.02200 0.01100 0.02300 0.00100 0.00900 0.00000 O12 0.02000 0.02700 0.01800 -0.00800 0.00300 0.00100 O13 0.01600 0.01900 0.01700 0.00000 0.00400 -0.00700 O14 0.01100 0.02100 0.01800 1.00000 0.00300 0.00600 Cl1 0.02090 0.02010 0.01830 -0.00800 0.00550 -0.00400 Cl2 0.04900 0.01900 0.00700 0.00900 0.01200 0.00600