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: T = 350 C
;
_database_code_amcsd 0019721
_chemical_compound_source 'Wagholi quarry, Poona district, India'
_chemical_formula_sum 'V Ca Si4 O12.18'
_cell_length_a 9.39
_cell_length_b 13.11
_cell_length_c 9.39
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1155.936
_exptl_crystal_density_diffrn      2.288
_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_occupancy
_atom_site_U_iso_or_equiv
V   0.03740   0.25000   0.09930   1.00000   0.03230
Ca  -0.38840   0.75000  -0.07150   1.00000   0.03730
Si1  -0.19680   0.52399  -0.07810   1.00000   0.02560
Si2  -0.08330   0.46265   0.20730   1.00000   0.02430
O1  -0.19210   0.64610  -0.07060   1.00000   0.03730
O2  -0.04850   0.34610   0.23740   1.00000   0.03780
O3  -0.19460   0.47390   0.07770   1.00000   0.03660
O4  -0.06310   0.47840  -0.16660   1.00000   0.03090
O5  -0.34340   0.48730  -0.15240   1.00000   0.03100
O6  -0.05680   0.25000  -0.03730   1.00000   0.06100
O7  -0.51700   0.78000   0.13400   0.25000   0.12900
O7B  -0.41500   0.78200   0.18100   0.22000   0.12900
O8  -0.59000   0.75000   0.01800   0.24000   0.12900
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 0.03080 0.03170 0.03430 0.00000 0.00630 0.00000
Ca 0.03580 0.03570 0.04050 0.00000 -0.00300 0.00000
Si1 0.02110 0.03000 0.02550 0.00000 -0.00210 0.00240
Si2 0.02410 0.02930 0.01950 0.00080 0.00410 0.00150
O1 0.03000 0.03300 0.04900 0.00000 0.00200 0.00100
O2 0.04800 0.03200 0.03300 0.00600 0.01600 0.00400
O3 0.03400 0.05400 0.02200 -0.00200 -0.00300 0.00700
O4 0.02300 0.03500 0.03500 0.00000 0.00300 0.00300
O5 0.03100 0.03800 0.02400 -0.00100 -0.00400 0.00800
O6 0.06700 0.06800 0.04800 0.00000 -0.01000 0.00000