data_global _chemical_name_mineral 'Monohydrocalcite' loop_ _publ_author_name 'Swainson I P' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 1014 _journal_page_last 1018 _publ_section_title ; The structure of monohydrocalcite and the phase composition of the beachrock deposits of Lake Butler and Lake Fellmongery, South Australia ; _database_code_amcsd 0004611 _chemical_compound_source 'Lakes Butler and Fellmongery, Robe, South Australia' _chemical_formula_sum 'Ca C O4 H2' _cell_length_a 10.5547 _cell_length_b 10.5547 _cell_length_c 7.5644 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 729.788 _exptl_crystal_density_diffrn 2.419 _symmetry_space_group_name_H-M 'P 31' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,x-y,1/3+z' '-x+y,-x,2/3+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ca1 0.18110 0.09580 0.33333 0.01130 Ca2 0.85060 0.42570 0.34020 0.01130 Ca3 0.51740 0.75510 0.35710 0.01130 C1 0.10030 0.18350 0.96900 0.00970 C2 0.74630 0.51620 0.04910 0.00970 C3 0.41770 0.84850 0.06080 0.00970 O1 0.20200 0.24500 0.08600 0.01230 O2 0.06800 0.05730 0.90500 0.01230 O3 0.03100 0.24850 0.91500 0.01230 O4 0.88480 0.58900 0.08300 0.01230 O5 0.66390 0.39240 0.12700 0.01230 O6 0.69000 0.56700 -0.06300 0.01230 O7 0.55860 0.91700 0.07600 0.01230 O8 0.33860 0.73060 0.15100 0.01230 O9 0.35600 0.89800 0.95600 0.01230 Ow1 0.40100 0.19500 0.84100 0.00920 Ow2 0.06900 0.54200 0.84900 0.01030 Ow3 0.73000 0.85800 0.83700 0.01030 H1 0.35000 0.22500 0.92200 0.03200 H2 0.32700 0.13000 0.76000 0.03200 H3 0.00400 0.46400 0.77100 0.03200 H4 0.00900 0.57800 0.89900 0.03200 H5 0.66300 0.79300 0.75000 0.03200 H6 0.67200 0.88500 0.90900 0.03200