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 = 75 C
;
_database_code_amcsd 0019719
_chemical_compound_source 'Wagholi quarry, Poona district, India'
_chemical_formula_sum 'V Ca Si4 O14.249'
_cell_length_a 9.60900
_cell_length_b 13.6833
_cell_length_c 9.7559
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1282.733
_exptl_crystal_density_diffrn      2.234
_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   0.02600   0.25000   0.09027   1.00000   0.01219
Ca  -0.38248   0.75000  -0.08753   1.00000   0.01422
Si1  -0.18529   0.53429  -0.09246   1.00000   0.00969
Si2  -0.10434   0.45653   0.18578   1.00000   0.00934
O1  -0.17964   0.65118  -0.08307   1.00000   0.01500
O2  -0.08347   0.34199   0.20472   1.00000   0.01690
O3  -0.20289   0.48168   0.05573   1.00000   0.01740
O4  -0.04573   0.49007  -0.16576   1.00000   0.01460
O5  -0.31993   0.49792  -0.17994   1.00000   0.01380
O6  -0.04550   0.25000  -0.05660   1.00000   0.02940
O7  -0.44710   0.85170   0.10350   0.27000   0.04480
O7A  -0.39930   0.81840   0.14640   0.24500   0.04480
O7B  -0.46430   0.88060   0.05700   0.55700   0.04480
O8  -0.63960   0.75000  -0.09870   1.00000   0.07560
O9  -0.29500   0.75000   0.18800   0.10500   0.04480
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 0.00980 0.01180 0.01500 0.00000 0.00105 0.00000
Ca 0.01190 0.01350 0.01730 0.00000 0.00026 0.00000
Si1 0.00710 0.01160 0.01040 -0.00016 -0.00049 0.00078
Si2 0.00820 0.01010 0.00970 0.00053 0.00136 0.00080
O1 0.01070 0.01220 0.02200 -0.00020 0.00140 -0.00100
O2 0.01890 0.01100 0.02070 0.00290 0.00790 0.00160
O3 0.01320 0.02620 0.01270 -0.00080 -0.00200 0.00490
O4 0.00980 0.01420 0.01990 -0.00050 0.00390 -0.00180
O5 0.01210 0.01540 0.01380 -0.00210 -0.00490 0.00300
O6 0.02890 0.03700 0.02220 0.00000 -0.00800 0.00000
O8 0.02150 0.09900 0.10600 0.00000 -0.00070 0.00000