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