data_global
_chemical_name_mineral 'Boggsite'
loop_
_publ_author_name
'Arletti R'
'Quartieri S'
'Vezzalini G'
_journal_name_full 'American Mineralogist'
_journal_volume 95 
_journal_year 2010
_journal_page_first 1247
_journal_page_last 1256
_publ_section_title
;
 Elastic behavior of zeolite boggsite in silicon oil and aqueous medium:
 A case of high-pressure-induced over hydration,
 Sample: P = 0.0 GPa
 Note: assignment of site chemistry does not match chemical analysis
;
_database_code_amcsd 0017092
_chemical_formula_sum 'Si24 O67.73 Ca3.48'
_cell_length_a 20.3266
_cell_length_b 23.8760
_cell_length_c 12.8252
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 6224.299
_exptl_crystal_density_diffrn      2.025
_symmetry_space_group_name_H-M 'I m m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,-y,1/2+z'
  '-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,1/2+y,-z'
  '1/2+x,+y,1/2-z'
  '-x,1/2-y,z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-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
Si1   0.18890   0.18700   0.67000   1.00000   0.01630
Si2   0.18730   0.02570   0.32900   1.00000   0.01630
Si3   0.07510   0.18390   0.83300   1.00000   0.01630
Si4   0.07720   0.01750   0.16500   1.00000   0.01630
Si5   0.22260   0.08190   0.54100   1.00000   0.01630
Si6   0.12310   0.08480   0.96700   1.00000   0.01630
O1   0.19500   0.25000   0.61400   1.00000   0.02300
O2   0.12000   0.17300   0.73300   1.00000   0.02300
O3   0.19900   0.14600   0.56600   1.00000   0.02300
O4   0.18300   0.07200   0.42300   1.00000   0.02300
O5   0.11500   0.03500   0.27400   1.00000   0.02300
O6   0.09200   0.25000   0.87200   1.00000   0.02300
O7   0.00000   0.17500   0.79400   1.00000   0.02300
O8   0.00000   0.02700   0.19600   1.00000   0.02300
O9   0.18600   0.03910   0.61900   1.00000   0.02300
O10   0.10600   0.15150   0.94200   1.00000   0.02300
O11   0.08600   0.07400   0.08500   1.00000   0.02300
O12   0.19900   0.07320   0.96700   1.00000   0.02300
O13   0.09900   0.03700   0.88100   1.00000   0.02300
O14   0.25000   0.17300   0.75000   1.00000   0.02300
O15   0.25000  -0.02700   0.75000   1.00000   0.02300
CaX1   0.00000   0.17800   0.13200   0.48000   0.15400
OX2   0.18100   0.16530   0.23500   1.29000   0.15400
OX3   0.20400   0.25000   0.09000   0.56000   0.15400
OX4   0.09900   0.18300   0.46300   0.65000   0.15400
OX5   0.00000   0.25000   0.55500   0.81000   0.15400
OX6   0.00000  -0.04300   0.41700   1.11000   0.15400
CaX7   0.06300   0.15300   0.37600   0.40000   0.15400
OX8   0.03500   0.13500   0.58500   0.72000   0.15400
CaX9   0.06200   0.25000   0.28600   0.46000   0.15400
OX10   0.12500   0.25000   0.07000   1.07000   0.15400
OX11   0.20200   0.25000   0.36900   0.73000   0.15400
OX12   0.21900   0.25000   0.24300   0.45000   0.15400
OX13   0.00000   0.06000   0.40800   0.98000   0.15400