data_global _chemical_name_mineral 'Kambaldaite' loop_ _publ_author_name 'Engelhardt L M' 'Hall S R' 'White A H' _journal_name_full 'American Mineralogist' _journal_volume 70 _journal_year 1985 _journal_page_first 423 _journal_page_last 427 _publ_section_title ; Crystal Structure of kambaldaite, Na2Ni8(CO3)6(OH)6(H2O)6 Note: U(1,2) for Na and for Ni2 has been altered to match symmetry constraints ; _database_code_amcsd 0000983 _chemical_formula_sum 'Na Ni4 C3 O15 H9' _cell_length_a 10.340 _cell_length_b 10.340 _cell_length_c 6.097 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 564.531 _exptl_crystal_density_diffrn 3.194 _symmetry_space_group_name_H-M 'P 63' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x-y,x,1/2+z' '-y,x-y,z' '-x,-y,1/2+z' '-x+y,-x,z' 'y,-x+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 Na 0.00000 0.00000 0.37450 ? Ni1 0.51260 -0.00190 0.25000 ? Ni2 0.66667 0.33333 0.63740 ? C 0.77960 0.21720 0.00800 ? O1 0.73240 0.13860 0.18010 ? O2 0.70150 0.18360 -0.17050 ? O3 0.91290 0.33430 0.00700 ? O4 0.51880 0.13770 0.48730 ? H1 0.46700 0.15900 0.43300 0.01500 O5 0.09980 0.19480 0.12330 ? H2 0.08100 0.23700 0.10700 0.02200 H3 0.17000 0.23400 0.17900 0.02200 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 Na 0.02110 0.02110 0.01330 0.01055 0.00000 0.00000 Ni1 0.00720 0.00530 0.00670 0.00200 0.00050 0.00010 Ni2 0.00590 0.00590 0.00790 0.00295 0.00000 0.00000 C 0.00300 0.00700 0.00800 0.00200 0.00000 0.00100 O1 0.00500 0.00900 0.01000 0.00000 0.00000 0.00200 O2 0.00800 0.01000 0.00700 0.00400 -0.00200 0.00000 O3 0.00500 0.00900 0.00900 0.00200 0.00000 0.00100 O4 0.01000 0.00600 0.00600 0.00600 -0.00100 -0.00100 O5 0.02000 0.01600 0.03700 0.00800 0.00000 0.00000