data_global _chemical_name_mineral 'Nacrite' loop_ _publ_author_name 'Zhukhlistov A P' _journal_name_full 'Crystallography Reports' _journal_volume 53 _journal_year 2008 _journal_page_first 76 _journal_page_last 82 _publ_section_title ; Crystal structure of nacrite from the electron diffraction data ; _database_code_amcsd 0012394 _chemical_formula_sum 'Al2 Si2 O9 H4' _cell_length_a 8.910 _cell_length_b 5.144 _cell_length_c 14.593 _cell_angle_alpha 90 _cell_angle_beta 100.50 _cell_angle_gamma 90 _cell_volume 657.642 _exptl_crystal_density_diffrn 2.607 _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 Al1 0.32750 -0.07030 -0.00020 Al2 0.16280 0.42450 0.00040 Si1 0.06320 0.27960 0.18970 Si2 0.23420 -0.23440 0.19070 O1 0.13490 0.00110 0.22150 O2 0.18090 0.50270 0.23620 O3 0.41190 -0.19250 0.23710 O4 0.02140 0.31110 0.07880 O5 0.21430 -0.26200 0.07940 O-h1 0.32710 0.23790 0.07480 O-h2 0.16400 0.11530 -0.06600 O-h3 0.28530 -0.37930 -0.06500 O-h4 0.47720 0.04320 -0.06510 H1 0.42600 0.31800 0.09600 H2 0.59900 0.41000 0.37800 H3 0.30000 0.34600 0.38000 H4 0.49900 -0.11400 0.38000 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 Al1 0.00817 0.00643 0.00939 -0.00114 0.00064 0.00075 Al2 0.00778 0.00630 0.00834 -0.00068 0.00064 0.00150 Si1 0.00778 0.00617 0.01043 -0.00183 0.00446 -0.00075 Si2 0.00817 0.00885 0.00834 -0.00091 0.00255 0.00037 O1 0.01011 0.00858 0.01565 -0.00023 0.00764 -0.00112 O2 0.00933 0.00858 0.01043 0.00183 0.00127 -0.00224 O3 0.01166 0.01019 0.01565 0.00411 0.00637 0.00037 O4 0.01089 0.00871 0.01043 -0.00479 0.00446 -0.00112 O5 0.01089 0.01099 0.00939 0.00320 0.00318 0.00523 O-h1 0.01011 0.00818 0.01147 0.00023 0.00637 0.00187 O-h2 0.01283 0.01059 0.01460 -0.00297 0.00573 -0.00486 O-h3 0.00855 0.00938 0.01252 0.00114 0.00446 -0.00075 O-h4 0.01089 0.01206 0.01460 0.00068 0.00573 0.00000 H1 0.04899 0.03928 0.04589 0.01027 0.03057 0.02580 H2 0.03849 0.04424 0.04381 -0.02146 -0.00255 0.01533 H3 0.03577 0.03820 0.03442 0.02009 0.01401 -0.01421 H4 0.03499 0.03740 0.04172 0.02762 0.03184 0.00897