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 = 3.6 GPa
 Note: assignment of site chemistry does not match chemical analysis
;
_database_code_amcsd 0017094
_chemical_formula_sum 'Si24 O70.76 Ca3.4'
_cell_length_a 19.949
_cell_length_b 23.445
_cell_length_c 12.607
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 5896.348
_exptl_crystal_density_diffrn      2.188
_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   0.18910   0.18800   0.67900   1.00000   0.01500
Si2   0.18830   0.02300   0.31800   1.00000   0.01500
Si3   0.07880   0.18210   0.83800   1.00000   0.01500
Si4   0.08020   0.01830   0.16500   1.00000   0.01500
Si5   0.21790   0.07830   0.54200   1.00000   0.01500
Si6   0.12600   0.08180   0.96500   1.00000   0.01500
O1   0.18700   0.25000   0.61300   1.00000   0.05100
O2   0.11800   0.17300   0.72600   1.00000   0.05100
O3   0.20900   0.14500   0.57300   1.00000   0.05100
O4   0.20400   0.06700   0.41700   1.00000   0.05100
O5   0.11200   0.04000   0.27700   1.00000   0.05100
O6   0.09200   0.25000   0.85800   1.00000   0.05100
O7   0.00000   0.17200   0.81200   1.00000   0.05100
O8   0.00000   0.02700   0.17200   1.00000   0.05100
O9   0.17500   0.03700   0.61700   1.00000   0.05100
O10   0.09300   0.14200   0.94200   1.00000   0.05100
O11   0.08800   0.07100   0.07800   1.00000   0.05100
O12   0.20400   0.07300   0.97400   1.00000   0.05100
O13   0.10600   0.04600   0.86300   1.00000   0.05100
O14   0.25000   0.19270   0.75000   1.00000   0.05100
O15   0.25000  -0.04620   0.75000   1.00000   0.05100
CaX1   0.00000   0.19800   0.11900   0.51000   0.16500
OX2   0.17300   0.15700   0.19500   1.16000   0.16500
OX3   0.30600   0.25000   0.11500   0.88000   0.16500
OX4   0.09800   0.15500   0.31500   0.77000   0.16500
OX5   0.00000   0.25000   0.55900   1.61000   0.16500
OX6   0.00000  -0.04200   0.44100   1.19000   0.16500
CaX7   0.07900   0.16300   0.44300   0.37000   0.16500
OX8   0.05040   0.11100   0.60500   0.85000   0.16500
CaX9   0.01200   0.25000   0.31900   0.45000   0.16500
OX10   0.17500   0.25000   0.00600   1.19000   0.16500
OX11   0.12300   0.25000   0.23200   1.01000   0.16500
OX12   0.22200   0.25000   0.15700   0.86000   0.16500
OX13   0.00000   0.05700   0.35900   0.90000   0.16500