data_global _chemical_name_mineral 'Armstrongite' loop_ _publ_author_name 'Kashaev A A' 'Sapozhnikov A N' _journal_name_full 'Kristallografiya' _journal_volume 23 _journal_year 1978 _journal_page_first 956 _journal_page_last 961 _publ_section_title ; Crystal structure of armstrongite ; _database_code_amcsd 0014184 _chemical_formula_sum 'Ca Zr Si6 O17 H4' _cell_length_a 14.04 _cell_length_b 14.16 _cell_length_c 7.81 _cell_angle_alpha 90 _cell_angle_beta 109.55 _cell_angle_gamma 90 _cell_volume 1463.166 _exptl_crystal_density_diffrn 2.614 _symmetry_space_group_name_H-M 'C 1 2 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' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ca 0.24800 0.25300 0.05300 0.01646 Zr 0.25800 0.00000 0.02400 0.01646 Si1 0.17400 0.13900 0.33800 0.01646 Si2 0.20200 0.36800 0.34500 0.01646 Si3 0.34200 0.36300 0.74300 0.01646 Si4 0.33700 0.14300 0.71800 0.01646 Si5 0.00200 0.00500 0.29900 0.01646 Si6 0.00800 0.49100 0.29400 0.01646 O1 0.50000 0.47600 0.50000 0.01646 O2 0.00000 0.49200 0.50000 0.01646 O3 0.26800 0.11700 0.51200 0.01646 O4 0.25200 0.39800 0.55100 0.01646 O5 0.21200 0.10200 0.17600 0.01646 O6 0.31000 0.37800 0.92100 0.01646 O7 0.24200 0.41600 0.19500 0.01646 O8 0.28200 0.11000 0.86200 0.01646 O9 0.18100 0.25300 0.32100 0.01646 O10 0.37000 0.25200 0.72400 0.01646 O11 0.06100 0.10300 0.32500 0.01646 O12 0.45000 0.42300 0.78100 0.01646 O13 0.08700 0.40400 0.30000 0.01646 O14 0.44300 0.09100 0.73500 0.01646 O15 -0.09000 0.47600 0.11400 0.01646 O16 -0.11600 0.02800 0.17600 0.01646 Wat1 0.09700 0.23800 0.77700 0.01646 Wat2 0.43400 0.23100 0.17600 0.01646