data_global
_chemical_name_mineral 'Aklimaite'
loop_
_publ_author_name
'Zubkova N V'
'Pekov I V'
'Pushcharovsky D Y'
'Zadov A E'
'Chukanov N V'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 227 
_journal_year 2012
_journal_page_first 452
_journal_page_last 455
_publ_section_title
;
 The crystal structure of aklimaite, Ca4[Si2O5(OH)2](OH)4*5H2O
;
_database_code_amcsd 0019808
_chemical_compound_source 'Mount Lakargi in KabardinoBalkaria, North Caucasus, Russia'
_chemical_formula_sum 'Ca4 Si2 O16 H16'
_cell_length_a 16.907
_cell_length_b 3.6528
_cell_length_c 13.068
_cell_angle_alpha 90
_cell_angle_beta 117.25
_cell_angle_gamma 90
_cell_volume 717.483
_exptl_crystal_density_diffrn      2.262
_symmetry_space_group_name_H-M 'C 1 2/m 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'
  '-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_occupancy
_atom_site_U_iso_or_equiv
Cal   0.00000   0.00000   0.50000   1.00000   0.02050
Ca2  -0.14346   0.50000   0.60449   1.00000   0.01860
Ca3   0.02580   0.00000   0.86590   0.50000   0.02950
Si  -0.20100   0.42380   0.34470   0.50000   0.01390
O1  -0.10070   0.50000   0.44480   1.00000   0.02300
O-H2   0.03800   0.00000   0.34580   1.00000   0.01920
O3  -0.26730   0.50000   0.39960   1.00000   0.02110
O-H4  -0.08860   0.50000   0.81500   0.50000   0.04900
Wat4  -0.08860   0.50000   0.81500   0.50000   0.04900
O-H5   0.40750   0.00000   0.17430   0.50000   0.04400
Wat5   0.40750   0.00000   0.17430   0.50000   0.04400
Wat6   0.17680   0.00000   0.01530   1.00000   0.08700
O7  -0.21220   0.00000   0.29950   0.50000   0.02100
Wat8  -0.02240   0.00000   0.95330   0.50000   0.03100
O-H9  -0.22480  -0.34100   0.22890   0.50000   0.02630