data_global _chemical_name_mineral 'Girvasite' loop_ _publ_author_name 'Sokolova E V' 'Yegorov-Tismenko Y K' _journal_name_full 'Doklady Akademii Nauk SSSR' _journal_volume 331 _journal_year 1990 _journal_page_first 1372 _journal_page_last 1376 _publ_section_title ; Crystal structure of girvasite ; _database_code_amcsd 0012487 _chemical_formula_sum 'Na Ca2 Mg3 P3 C O21 H12' _cell_length_a 6.522 _cell_length_b 12.25 _cell_length_c 21.56 _cell_angle_alpha 90 _cell_angle_beta 89.48 _cell_angle_gamma 90 _cell_volume 1722.454 _exptl_crystal_density_diffrn 2.426 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-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 Na 0.14700 0.20760 0.10510 0.02280 Ca1 0.43480 0.01960 0.25030 0.00760 Ca2 0.67930 0.24920 0.34880 0.01267 Mg1 0.94700 0.15780 0.71790 0.00380 Mg2 0.62000 0.07320 0.11150 0.01140 Mg3 0.24900 0.02810 0.63190 0.00633 P1 0.43900 0.23380 0.71970 0.01013 P2 0.90500 0.07170 0.23130 0.01140 P3 0.75200 0.03500 0.59440 0.01267 C 0.70400 0.03900 0.91000 0.01013 O1 0.27100 0.15200 0.69950 0.01267 O2 0.56900 0.00600 0.63730 0.00633 O3 0.91400 0.00200 0.75590 0.01393 O4 0.47000 0.18200 0.16690 0.01267 O5 0.37600 0.20800 0.27990 0.01267 O6 0.76200 0.01200 0.18520 0.01393 O7 0.97400 0.18000 0.20200 0.00887 O8 0.77400 0.08800 0.29200 0.01013 O9 0.63600 0.17000 0.73650 0.01013 O10 0.93800 0.08000 0.63120 0.00760 O-H11 0.17900 0.07200 0.44040 0.01140 O-H12 0.68600 0.12100 0.54490 0.01140 Wat13 0.03200 0.19800 0.81500 0.01267 O14 0.33700 0.05300 0.06070 0.01646 Wat15 0.79000 0.18100 0.05570 0.01646 O16 0.60600 0.05700 0.85990 0.01393 Wat17 0.23300 0.05100 0.94580 0.01520 O-H18 0.79800 0.10900 0.42470 0.01013 O19 0.82700 0.10900 0.93180 0.02026 O-H20 0.28500 0.13300 0.55410 0.01393 Wat21 0.41300 0.24600 0.42380 0.02026