data_global _chemical_name_mineral 'Nekoite' loop_ _publ_author_name 'Alberti A' 'Galli E' _journal_name_full 'American Mineralogist' _journal_volume 65 _journal_year 1980 _journal_page_first 1270 _journal_page_last 1276 _publ_section_title ; The structure of nekoite, Ca3Si6O15*7H2O, a new type of sheet silicate ; _database_code_amcsd 0000803 _chemical_compound_source 'Caxias do Sul, Rio Grande do Sul, Brazil' _chemical_formula_sum 'Ca3 Si6 O22 H14' _cell_length_a 7.588 _cell_length_b 9.793 _cell_length_c 7.339 _cell_angle_alpha 111.77 _cell_angle_beta 103.50 _cell_angle_gamma 86.53 _cell_volume 492.263 _exptl_crystal_density_diffrn 2.209 _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 Ca1 0.53660 0.16580 0.47310 ? Ca2 0.46710 -0.16080 0.55950 ? Ca3 0.44930 -0.16280 0.02970 ? Si1 0.15720 0.13740 0.07910 0.01140 Si2 -0.12870 -0.12290 -0.04280 0.02153 Si3 -0.13800 -0.10580 0.39780 0.01267 Si4 0.16020 0.14140 0.66240 0.01520 Si5 0.18020 0.37830 0.48970 0.01520 Si6 0.06950 0.70510 0.63580 0.01646 O1 -0.02180 0.02910 -0.00460 0.03166 O2 0.10230 0.27960 0.24850 0.02786 O3 -0.03660 -0.26160 -0.18350 0.02660 O4 0.33570 0.06050 0.15730 0.03293 O5 -0.33540 -0.10780 -0.11820 0.02660 O6 -0.09210 -0.14870 0.18100 0.03673 O7 0.17170 0.19390 -0.09260 0.02153 O8 -0.03230 0.03840 0.54390 0.03293 O9 -0.06970 -0.24010 0.46120 0.01900 O10 0.11690 0.29310 0.62190 0.01773 O11 -0.35580 -0.08130 0.37680 0.01900 O12 0.33130 0.05890 0.59230 0.02913 O13 0.07510 0.52890 0.53390 0.02026 O14 0.39950 0.39230 0.54640 0.02786 O15 0.25430 0.78730 0.71480 0.04686 Wat1 0.50540 -0.42100 -0.07700 0.04939 Wat2 0.54990 -0.41320 0.45860 0.06206 Wat3 0.70840 0.20840 0.82070 0.10132 Wat4 0.71410 0.21830 0.28770 0.09372 Wat5 0.08250 0.50930 0.03570 0.08486 Wat6 0.75980 0.45880 0.16610 0.06586 Wat7 0.27450 -0.24320 0.22510 0.02786 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 Ca1 0.03748 0.00419 0.01674 0.00068 0.00322 0.00183 Ca2 0.03665 0.00502 0.01517 0.00272 0.00595 0.00245 Ca3 0.03803 0.00084 0.01607 0.00374 0.00397 0.00367