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 = 175 C
;
_database_code_amcsd 0019720
_chemical_compound_source 'Wagholi quarry, Poona district, India'
_chemical_formula_sum 'V Ca Si4 O13.014'
_cell_length_a 9.4746
_cell_length_b 13.2620
_cell_length_c 9.6050
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1206.889
_exptl_crystal_density_diffrn      2.265
_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   0.03479   0.25000   0.09988   1.00000   0.01642
Ca  -0.38889   0.75000  -0.07578   1.00000   0.01849
Si1  -0.19261   0.52653  -0.08317   1.00000   0.01415
Si2  -0.09206   0.46155   0.19910   1.00000   0.01366
O1  -0.18823   0.64770  -0.07596   1.00000   0.01990
O2  -0.05978   0.34527   0.22691   1.00000   0.02180
O3  -0.20100   0.47554   0.07010   1.00000   0.02260
O4  -0.05458   0.48034  -0.16282   1.00000   0.01960
O5  -0.33434   0.48941  -0.16389   1.00000   0.01890
O6  -0.05520   0.25000  -0.03980   1.00000   0.03370
O7  -0.43000   0.77780   0.16790   0.16200   0.04400
O7A  -0.36250   0.77500   0.17590   0.20300   0.04400
O7B  -0.39700   0.81000   0.16100   0.14200   0.04400
O8  -0.64090   0.75000  -0.04850   1.00000   0.12100
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 0.01400 0.01680 0.01850 0.00000 0.00103 0.00000
Ca 0.01630 0.01970 0.01940 0.00000 -0.00010 0.00000
Si1 0.01080 0.01700 0.01460 0.00016 -0.00055 0.00178
Si2 0.01240 0.01550 0.01310 0.00114 0.00162 0.00137
O1 0.01530 0.01720 0.02720 -0.00020 0.00170 -0.00110
O2 0.02480 0.01680 0.02370 0.00430 0.00870 0.00270
O3 0.01800 0.03280 0.01690 -0.00080 -0.00250 0.00630
O4 0.01440 0.01940 0.02500 -0.00030 0.00500 0.00010
O5 0.01580 0.02200 0.01900 -0.00180 -0.00510 0.00370
O6 0.03260 0.04040 0.02820 0.00000 -0.00860 0.00000
O8 0.03500 0.17200 0.15700 0.00000 0.02900 0.00000