data_global
_chemical_name_mineral 'Fukalite dimorph'
loop_
_publ_author_name
'Rastsvetaeva R K'
'Bolotina N B'
'Zadov A E'
'Chukanov N V'
_journal_name_full 'Doklady Earth Sciences'
_journal_volume 405A 
_journal_year 2005
_journal_page_first 1347
_journal_page_last 1351
_publ_section_title
;
 Crystal structure of fukalite dimorph Ca4[Si2O6](CO3)(OH)2 from the
 Gumeshevsk Deposit the Urals
;
_database_code_amcsd 0012514
_chemical_compound_source 'Gumeshevsk Deposit the Urals'
_chemical_formula_sum 'Ca4 Si1.98 C O10.99 H2'
_cell_length_a 3.786
_cell_length_b 10.916
_cell_length_c 23.379
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 966.207
_exptl_crystal_density_diffrn      2.790
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+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
Ca1   0.25190   0.37420   0.45620   1.00000   0.00697
Ca2   0.25660   0.05530   0.69070   1.00000   0.00937
Ca3   0.24930   0.30820   0.19320   1.00000   0.01001
Ca4   0.24710   0.12410   0.95450   1.00000   0.00735
Si1   0.32750   0.37340   0.72160   0.49000   0.00646
Si2   0.17870   0.37820   0.58750   0.52000   0.00152
Si3   0.15330   0.37560   0.71370   0.49000   0.00684
Si4   0.33840   0.37120   0.58390   0.48000   0.01646
C   0.28100   0.12310   0.08130   1.00000   0.00367
O1   0.26200   0.25500   0.55150   1.00000   0.00760
O2   0.25200   0.50840   0.04620   1.00000   0.00760
O3   0.24800   0.22840   0.05230   1.00000   0.01013
O4   0.23500   0.02420   0.05060   1.00000   0.01140
O5   0.21100   0.12810   0.13510   1.00000   0.01013
O6   0.18800   0.49930   0.24270   1.00000   0.01900
O7   0.23700   0.24610   0.74130   1.00000   0.04053
O8   0.35900   0.37680   0.64830   1.00000   0.01393
O9   0.23800   0.12500   0.25820   0.53000   0.01140
O10   0.26300   0.12300   0.39800   0.46000   0.01140
O-h1   0.25900   0.12560   0.85650   1.00000   0.01140
O-h2   0.24200   0.37820   0.35710   1.00000   0.01013
Hl   0.25500   0.05800   0.84900   1.00000   0.03800
H2   0.24300   0.31400   0.34200   1.00000   0.03800