data_global _chemical_name_mineral 'Antigorite' loop_ _publ_author_name 'Capitani G C' 'Mellini M' _journal_name_full 'American Mineralogist' _journal_volume 91 _journal_year 2006 _journal_page_first 394 _journal_page_last 399 _publ_section_title ; The crystal structure of a second antigorite polysome (m = 16), by single-crystal synchrotron diffraction ; _database_code_amcsd 0004123 _chemical_formula_sum 'Mg45 Si32 O138 H58' _cell_length_a 81.664 _cell_length_b 9.255 _cell_length_c 7.261 _cell_angle_alpha 90 _cell_angle_beta 91.409 _cell_angle_gamma 90 _cell_volume 5486.207 _exptl_crystal_density_diffrn 2.578 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Mg1A 0.00000 0.00000 0.50000 0.01900 Mg1B 0.00000 0.66490 0.50000 0.02000 Mg2A 0.96680 0.50000 0.46290 0.01900 Mg2B 0.96650 0.83370 0.45980 0.02000 Mg3A 0.93320 0.00000 0.43010 0.01900 Mg3B 0.93340 0.66480 0.43080 0.02000 Mg4A 0.90030 0.50000 0.41650 0.01800 Mg4B 0.90010 0.83160 0.41600 0.01800 Mg5A 0.86690 0.00000 0.41160 0.02000 Mg5B 0.86710 0.66580 0.41130 0.01700 Mg6A 0.83380 0.50000 0.41260 0.02300 Mg6B 0.83370 0.83370 0.41810 0.01800 Mg7A 0.80050 0.00000 0.43010 0.01800 Mg7B 0.80030 0.66620 0.43960 0.02300 Mg8A 0.76690 0.50000 0.48120 0.02100 Mg8B 0.76680 0.83460 0.47270 0.02100 Si1 0.98490 0.83350 0.86760 0.02100 Si2 0.95340 0.66640 0.82750 0.02100 Si3 0.92160 0.83360 0.80590 0.02000 Si4 0.88950 0.66640 0.79580 0.02100 Si5 0.85740 0.83360 0.79420 0.02100 Si6 0.82540 0.66640 0.80150 0.02200 Si7 0.79380 0.83360 0.82370 0.02400 Si8 0.76190 0.66650 0.86260 0.02500 OA1 0.98810 0.83030 0.64910 0.02600 OA2 0.95500 0.66370 0.60710 0.01800 OA3 0.92170 0.83210 0.58410 0.02100 OA4 0.88930 0.66860 0.57120 0.02600 OA5 0.85690 0.83920 0.57330 0.02200 OA6 0.82380 0.67130 0.57990 0.02200 OA7 0.79090 0.83450 0.60260 0.02100 OA8 0.75750 0.66810 0.64740 0.02700 OB1A 0.98070 0.00000 0.93910 0.03500 OB2A 0.95110 0.50000 0.90480 0.02800 OB3A 0.92070 0.00000 0.88520 0.03200 OB4A 0.88870 0.50000 0.87200 0.03000 OB5A 0.85640 0.00000 0.87360 0.03200 OB6A 0.82460 0.50000 0.88190 0.03300 OB7A 0.79340 0.00000 0.90530 0.03400 OB8A 0.76310 0.50000 0.94840 0.06100 OB0B 0.00000 0.77780 0.00000 0.02700 OB1B 0.96970 0.73330 0.92660 0.02500 OB2B 0.93790 0.75900 0.89920 0.02100 OB3B 0.90600 0.74380 0.88150 0.02300 OB4B 0.87410 0.75700 0.87300 0.02400 OB5B 0.84230 0.74120 0.87690 0.02400 OB6B 0.81070 0.76020 0.89090 0.03000 OB7B 0.77980 0.74160 0.92350 0.04300 OB8B 0.75000 0.75000 0.00000 0.06300 OV1 0.98820 0.50000 0.63850 0.01900 OV2 0.95380 0.00000 0.60490 0.03100 OV3 0.92280 0.50000 0.57870 0.02200 OV4 0.88940 0.00000 0.56890 0.01800 OV5 0.85590 0.50000 0.56110 0.02000 OV6 0.82390 0.00000 0.57770 0.02400 OV7 0.79100 0.50000 0.60510 0.03400 OV8 0.75700 0.00000 0.62480 0.01900 OW1A 0.97850 0.00000 0.34530 0.03300 OW1B 0.97880 0.67000 0.34120 0.01800 OW2A 0.94610 0.50000 0.30920 0.03400 OW2B 0.94470 0.83600 0.30590 0.01900 OW3A 0.91090 0.00000 0.28880 0.01500 OW3B 0.91180 0.67070 0.28410 0.02800 OW4A 0.87810 0.50000 0.27400 0.02500 OW4B 0.87800 0.83050 0.28070 0.02300 OW5A 0.84490 0.00000 0.28200 0.02600 OW5B 0.84420 0.66740 0.27940 0.02300 OW6A 0.81040 0.50000 0.29520 0.02200 OW6B 0.81070 0.83180 0.29660 0.02500 OW7A 0.77650 0.00000 0.31980 0.02800 OW7B 0.77650 0.66970 0.33070 0.02400 HI1 0.98820 0.50000 0.77200 0.02300 HI2 0.95380 0.00000 0.73700 0.02300 HI3 0.92280 0.50000 0.70400 0.02300 HI4 0.88940 0.00000 0.70000 0.02300 HI5 0.85590 0.50000 0.69200 0.02300 HI6 0.82390 0.00000 0.70300 0.02300 HI7 0.79100 0.50000 0.73400 0.02300 HI8 0.75700 0.00000 0.75600 0.02300 HH1A 0.97850 0.00000 0.20400 0.04700 HH1B 0.97880 0.67000 0.19100 0.04700 HH2A 0.94610 0.50000 0.18100 0.04700 HH2B 0.94470 0.83600 0.16800 0.04700 HH3A 0.91090 0.00000 0.14900 0.04700 HH3B 0.91180 0.67070 0.14100 0.04700 HH4A 0.87810 0.50000 0.13500 0.04700 HH4B 0.87800 0.83050 0.14700 0.04700 HH5A 0.84490 0.00000 0.13800 0.04700 HH5B 0.84420 0.66740 0.14100 0.04700 HH6A 0.81040 0.50000 0.15200 0.04700 HH6B 0.81070 0.83180 0.16400 0.04700 HH7A 0.77650 0.00000 0.15700 0.04700 HH7B 0.77650 0.66970 0.19200 0.04700