data_global _chemical_name_mineral 'Sclarite' loop_ _publ_author_name 'Grice J D' 'Dunn P J' _journal_name_full 'American Mineralogist' _journal_volume 74 _journal_year 1989 _journal_page_first 1355 _journal_page_last 1359 _publ_section_title ; Sclarite, a new mineral from Franklin, New Jersey, with essential octahedrally and tetrahedrally coordinated zinc: Description and structure refinement ; _database_code_amcsd 0001284 _chemical_formula_sum 'Zn7 C2 O16 H10' _cell_length_a 16.110 _cell_length_b 5.432 _cell_length_c 15.041 _cell_angle_alpha 90 _cell_angle_beta 95.490 _cell_angle_gamma 90 _cell_volume 1310.193 _exptl_crystal_density_diffrn 3.791 _symmetry_space_group_name_H-M 'A 1 2/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,-y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,y,-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '-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_U_iso_or_equiv Zn1 0.40970 0.25460 0.27960 ? Zn2 0.18510 0.26970 0.19800 ? Zn3 0.03860 0.24600 0.36150 ? Zn4 0.25000 0.28550 0.00000 ? C 0.37570 0.41850 0.47700 ? O1 0.07400 0.24910 0.49330 ? O2 0.47590 0.09450 0.17520 ? O3 0.11970 0.08120 0.29010 ? O4 0.06750 0.43410 0.14450 ? O5 0.24420 0.47020 0.10640 ? O6 0.34570 0.07040 0.03140 ? O7 0.35180 0.43060 0.39240 ? O8 0.29900 0.08480 0.22380 ? H26 0.44000 0.16000 0.12600 0.04000 H35 0.16400 0.06000 0.34200 0.04000 H41 0.07000 0.47200 0.07800 0.04000 H57 0.28500 0.11200 0.41000 0.04000 H86 0.31300 0.04800 0.16200 0.04000 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 Zn1 0.01910 0.00790 0.01180 -0.00020 0.00550 0.00060 Zn2 0.01850 0.00860 0.00940 0.00020 0.00680 0.00110 Zn3 0.01810 0.00820 0.00660 -0.00050 0.00530 0.00000 Zn4 0.02350 0.01490 0.00590 0.00000 0.00550 0.00000 C 0.01500 0.01300 0.00700 -0.00300 0.00600 -0.00300 O1 0.03100 0.01400 0.00500 -0.00800 0.00300 0.00100 O2 0.02300 0.00700 0.00900 0.00000 0.00500 0.00000 O3 0.01800 0.01000 0.00400 -0.00100 0.00500 -0.00200 O4 0.02100 0.00900 0.00400 -0.00300 0.00300 -0.00200 O5 0.02200 0.01300 0.00400 0.00000 0.00700 0.00200 O6 0.03300 0.02600 0.01000 0.01300 0.00500 -0.00500 O7 0.02100 0.01400 0.00500 0.00000 0.00300 0.00100 O8 0.01700 0.00900 0.00700 -0.00100 0.00500 0.00200