data_global
_chemical_name_mineral 'Cavansite'
loop_
_publ_author_name
'Hughes J M'
'Derr R S'
'Cureton F'
'Campana C F'
'Druschel G'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 49 
_journal_year 2011
_journal_page_first 1267
_journal_page_last 1272
_publ_section_title
;
 The crystal structure of cavansite: location of the H2O molecules and
 hydrogen atoms in Ca(VO)(Si4O10)*4H2O
 Note: T = 296 K
;
_database_code_amcsd 0018621
_chemical_compound_source 'Pune, India'
_chemical_formula_sum 'V Ca Si4 O15 H8'
_cell_length_a 9.7614
_cell_length_b 13.6666
_cell_length_c 9.6049
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1281.343
_exptl_crystal_density_diffrn      2.340
_symmetry_space_group_name_H-M 'P c m n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,y,1/2+z'
  '1/2+x,-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
V   0.40796   0.25000   0.52610   0.00958
Ca   0.08632   0.25000   0.38270   0.01177
Si1   0.09326   0.03399   0.18476   0.00784
Si2   0.31501   0.04327   0.39474   0.00758
O1   0.08426   0.15083   0.17913   0.01217
O2   0.29503   0.15790   0.41533   0.01367
O3   0.44570   0.01877   0.29636   0.01436
O4   0.16543   0.98960   0.04456   0.01233
O5   0.18173   0.99676   0.31835   0.01163
O6   0.55529   0.25000   0.45570   0.02350
OW7   0.93880   0.12314   0.46350   0.06540
H7a  -0.12940   0.11680   0.42010   0.07800
H7b  -0.08010   0.09360   0.53870   0.07800
OW8   0.11280   0.25000   0.63930   0.05410
H8a   0.10830   0.29930   0.69320   0.06500
OW9   0.80980   0.25000   0.29500   0.39600
H9a  -0.27170   0.25000   0.32350   0.47500
H9b  -0.20460   0.25000   0.20520   0.47500