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 = 2.5 GPa
 Note: assignment of site chemistry does not match chemical analysis
;
_database_code_amcsd 0017093
_chemical_formula_sum 'Si24 O69.98 Ca3.46'
_cell_length_a 20.082
_cell_length_b 23.613
_cell_length_c 12.709
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 6026.561
_exptl_crystal_density_diffrn      2.130
_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   0.19070   0.18620   0.66800   1.00000   0.01500
Si2   0.18550   0.02560   0.32200   1.00000   0.01500
Si3   0.07810   0.18600   0.83300   1.00000   0.01500
Si4   0.07800   0.01980   0.16400   1.00000   0.01500
Si5   0.22170   0.07840   0.54300   1.00000   0.01500
Si6   0.12590   0.08430   0.96300   1.00000   0.01500
O1   0.18000   0.25000   0.61400   1.00000   0.02700
O2   0.12300   0.16800   0.72900   1.00000   0.02700
O3   0.20100   0.14400   0.56900   1.00000   0.02700
O4   0.20100   0.06800   0.41800   1.00000   0.02700
O5   0.11000   0.03700   0.27400   1.00000   0.02700
O6   0.10000   0.25000   0.85700   1.00000   0.02700
O7   0.00000   0.17300   0.83300   1.00000   0.02700
O8   0.00000   0.02900   0.19700   1.00000   0.02700
O9   0.18700   0.03200   0.61400   1.00000   0.02700
O10   0.09300   0.14600   0.93600   1.00000   0.02700
O11   0.08000   0.06500   0.06300   1.00000   0.02700
O12   0.20300   0.08500   0.97600   1.00000   0.02700
O13   0.10300   0.04400   0.86600   1.00000   0.02700
O14   0.25000   0.18300   0.75000   1.00000   0.02700
O15   0.25000  -0.02300   0.75000   1.00000   0.02700
CaX1   0.00000   0.18600   0.17200   0.51000   0.16400
OX2   0.16400   0.15700   0.20600   1.30000   0.16400
OX3   0.22900   0.25000   0.05800   0.87000   0.16400
OX4   0.09200   0.13600   0.42100   0.70000   0.16400
OX5   0.00000   0.25000   0.57700   1.65000   0.16400
OX6   0.00000  -0.04000   0.44900   1.19000   0.16400
CaX7   0.08900   0.17100   0.41700   0.40000   0.16400
OX8   0.04400   0.11000   0.62100   0.77000   0.16400
CaX9   0.04600   0.25000   0.29100   0.42000   0.16400
OX10   0.11700   0.25000   0.06100   0.99000   0.16400
OX11   0.19300   0.25000   0.34000   0.97000   0.16400
OX12   0.19000   0.25000   0.21300   0.81000   0.16400
OX13   0.00000   0.08800   0.35200   0.91000   0.16400