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 = 100 K
;
_database_code_amcsd 0018620
_chemical_compound_source 'Pune, India'
_chemical_formula_sum 'V Ca Si4 O15 H8'
_cell_length_a 9.7518
_cell_length_b 13.6854
_cell_length_c 9.5965
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1280.723
_exptl_crystal_density_diffrn      2.341
_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   0.40346   0.25000   0.52713   0.00441
Ca   0.08119   0.25000   0.38416   0.00538
Si1   0.09290   0.03373   0.18499   0.00382
Si2   0.31455   0.04308   0.39482   0.00367
O1   0.08484   0.15046   0.17923   0.00609
O2   0.29352   0.15771   0.41364   0.00677
O3   0.44562   0.01968   0.29592   0.00688
O4   0.16568   0.98934   0.04467   0.00605
O5   0.18145   0.99550   0.31844   0.00555
O6   0.55289   0.25000   0.45740   0.01021
OW7   0.94626   0.11855   0.47063   0.01585
H7a  -0.12110   0.11170   0.42660   0.03400
H7b  -0.07280   0.08870   0.54600   0.03100
OW8   0.13254   0.25000   0.63927   0.01471
H8a   0.12830   0.29930   0.69350   0.04700
OW9   0.81138   0.25000   0.28676   0.02668
H9a  -0.27050   0.25000   0.31620   0.03300
H9b  -0.20200   0.25000   0.19700   0.05700