data_global _chemical_name_mineral 'Clinohedrite' loop_ _publ_author_name 'Venetopoulos C C' 'Rentzeperis P J' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 144 _journal_year 1976 _journal_page_first 377 _journal_page_last 392 _publ_section_title ; Redetermination of the crystal structure of clinohedrite, CaZnSiO4*H2O ; _database_code_amcsd 0010788 _chemical_formula_sum 'Ca Zn Si O5 H2' _cell_length_a 5.090 _cell_length_b 15.829 _cell_length_c 5.386 _cell_angle_alpha 90 _cell_angle_beta 103.26 _cell_angle_gamma 90 _cell_volume 422.379 _exptl_crystal_density_diffrn 3.390 _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_U_iso_or_equiv Ca 0.34800 0.57240 0.63840 0.00279 Zn 0.00000 0.24928 0.00000 0.00279 Si 0.01390 0.36180 0.51830 0.00076 O1 0.14100 0.29340 0.34760 0.00494 O2 0.12790 0.34060 0.81550 0.00507 O3 0.10670 0.54590 0.94790 0.00405 O-h1 0.14150 0.95910 0.85640 0.00887 O-h2 0.18760 0.14430 0.94890 0.00367 H1 0.18600 0.91600 0.72500 0.00836 H2 0.32000 0.98600 0.94200 0.00836 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 Ca 0.00280 0.00270 0.00260 0.00000 0.00050 0.00000 Zn 0.00280 0.00210 0.00330 0.00000 -0.00050 0.00000 Si 0.00040 0.00100 0.00130 0.00000 0.00050 0.00000 O1 0.00400 0.00530 0.00450 0.00000 0.00150 0.00000 O2 0.00870 0.00450 0.00220 0.00000 -0.00100 0.00000 O3 0.00550 0.00240 0.00460 0.00000 0.00350 0.00000 O-h1 0.00670 0.00770 0.01120 0.00000 0.00320 0.00000 O-h2 0.00030 0.00480 0.00600 0.00000 0.00040 0.00000 H1 0.00840 0.00840 0.00840 0.00000 0.00190 0.00000 H2 0.00840 0.00840 0.00840 0.00000 0.00190 0.00000