data_global
_chemical_name_mineral 'Cavansite'
loop_
_publ_author_name
'Ishida N'
'Kimata M'
'Nishida N'
'Hatta T'
'Shimizu M'
'Akasaka T'
_journal_name_full 'Journal of Mineralogical and Petrological Sciences'
_journal_volume 104 
_journal_year 2009
_journal_page_first 241
_journal_page_last 252
_publ_section_title
;
 Polymorphic relation between cavanite and pentagonite:
 genetic implications of oxonium ion in cavansite
;
_database_code_amcsd 0019264
_chemical_compound_source 'Deccan basalts, Wagholi, India'
_chemical_formula_sum 'Ca V Si4 O15 H7'
_cell_length_a 9.794
_cell_length_b 13.670
_cell_length_c 9.643
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1291.043
_exptl_crystal_density_diffrn      2.317
_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
Ca   0.08210   0.25000   0.38210   0.01210
V   0.40350   0.25000   0.52590   0.01000
Sil   0.09520   0.03320   0.18280   0.00810
Si2   0.31620   0.04310   0.39260   0.00760
O1   0.08630   0.15030   0.17740   0.01270
O2   0.29370   0.15770   0.41230   0.01270
O3   0.44860   0.02010   0.29680   0.01390
O4   0.16610  -0.01090   0.04210   0.01180
O5   0.18550  -0.00450   0.31410   0.01110
O6   0.55220   0.25000   0.45730   0.02210
O-H7   0.94600   0.11830   0.47080   0.04180
Wat8   0.37430   0.25000   0.13870   0.03440
O9   0.81000   0.25000   0.28360   0.07230
H91   0.81000   0.25000   0.28360   0.07230
H92   0.81000   0.25000   0.28360   0.07230
H93   0.81000   0.25000   0.28360   0.07230
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
Ca 0.01480 0.01120 0.01030 0.00000 0.00070 0.00000
V 0.01200 0.00940 0.00850 0.00000 -0.00090 0.00000
Sil 0.00780 0.00960 0.00690 -0.00040 -0.00050 -0.00020
Si2 0.00670 0.00830 0.00770 0.00030 -0.00100 -0.00030
O1 0.01930 0.00960 0.00930 0.00080 0.00030 0.00030
O2 0.01570 0.00740 0.01500 0.00120 -0.00520 -0.00110
O3 0.00860 0.02110 0.01180 0.00390 0.00240 0.00040
O4 0.01640 0.01030 0.00880 0.00110 0.00290 0.00030
O5 0.01180 0.01130 0.01030 -0.00210 -0.00300 0.00190
O6 0.01800 0.02500 0.02300 0.00000 0.00500 0.00000
O-H7 0.04800 0.04400 0.03300 -0.02600 0.00800 0.00400
Wat8 0.05800 0.03100 0.01400 0.00000 0.00400 0.00000
O9 0.05700 0.09900 0.06100 0.00000 0.00900 0.00000
H91 0.05700 0.09900 0.06100 0.00000 0.00900 0.00000
H92 0.05700 0.09900 0.06100 0.00000 0.00900 0.00000
H93 0.05700 0.09900 0.06100 0.00000 0.00900 0.00000