data_global
_chemical_name_mineral 'Cavansite'
loop_
_publ_author_name
'Danisi R M'
'Armbruster T'
'Lazic B'
_journal_name_full 'American Mineralogist'
_journal_volume 97 
_journal_year 2012
_journal_page_first 1874
_journal_page_last 1880
_publ_section_title
;
 In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study
 Note: room temperature
;
_database_code_amcsd 0019718
_chemical_compound_source 'Wagholi quarry, Poona district, India'
_chemical_formula_sum 'V Ca Si4 O15 H8'
_cell_length_a 9.6329
_cell_length_b 13.6606
_cell_length_c 9.7949
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1288.923
_exptl_crystal_density_diffrn      2.326
_symmetry_space_group_name_H-M 'P n m a'
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   0.02594   0.25000   0.09618   0.01042
Ca  -0.38231   0.75000  -0.08263   0.01275
Si1  -0.18305   0.53318  -0.09496   0.00808
Si2  -0.10728   0.45691   0.18382   0.00766
O1  -0.17796   0.65027  -0.08597   0.01280
O2  -0.08731   0.34231   0.20600   0.01370
O3  -0.20339   0.47968   0.05164   0.01440
O4  -0.04191   0.48914  -0.16578   0.01220
O5  -0.31477   0.49541  -0.18514   0.01120
O6  -0.04300   0.25000  -0.05191   0.02370
O7  -0.46993   0.88139   0.05339   0.04420
H7A  -0.42100   0.86900   0.13600   0.08000
H7B  -0.56150   0.89100   0.08100   0.08000
O8  -0.63830   0.75000  -0.12580   0.03740
H8  -0.68500   0.69440  -0.09300   0.08000
O9  -0.28320   0.75000   0.18980   0.07750
H9A  -0.33000   0.75000   0.27600   0.08000
H9B  -0.19200   0.75000   0.23000   0.08000
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
V 0.00849 0.00946 0.01330 0.00000 0.00076 0.00000
Ca 0.01036 0.01118 0.01670 0.00000 0.00069 0.00000
Si1 0.00635 0.00920 0.00869 0.00008 -0.00063 0.00054
Si2 0.00691 0.00834 0.00772 0.00042 0.00091 0.00053
O1 0.00930 0.00980 0.01930 -0.00070 0.00020 -0.00070
O2 0.01540 0.00910 0.01680 0.00210 0.00520 0.00150
O3 0.01220 0.02120 0.00990 -0.00030 -0.00140 0.00390
O4 0.00820 0.01130 0.01720 -0.00010 0.00260 -0.00150
O5 0.01030 0.01220 0.01110 -0.00130 -0.00390 0.00190
O6 0.02310 0.02870 0.01920 0.00000 -0.00520 0.00000
O7 0.03400 0.04890 0.04980 0.00480 0.00890 -0.02730
O8 0.01460 0.03190 0.06580 0.00000 -0.00480 0.00000
O9 0.06600 0.10900 0.05800 0.00000 0.00910 0.00000