data_global
_chemical_name_mineral 'Prehnite'
loop_
_publ_author_name
'Detrie T A'
'Ross N L'
'Angel R J'
'Gatta G D'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 21 
_journal_year 2009
_journal_page_first 561
_journal_page_last 570
_publ_section_title
;
 Equation of state and structure of prehnite to 9.8 GPa
 Note: P = 9.75 GPa
;
_database_code_amcsd 0007297
_chemical_compound_source 'N'Chwaning II mine, Kuruman, South Africa'
_chemical_formula_sum 'Ca2 Al2 Si3 O12 H2'
_cell_length_a 4.482
_cell_length_b 5.3201
_cell_length_c 18.161
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 433.043
_exptl_crystal_density_diffrn      3.163
_symmetry_space_group_name_H-M 'P n c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2+z'
  'x,1/2-y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+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
Ca   0.00000   0.50000   0.10050   1.00000   0.01000
Al   0.00000   0.00000   0.00000   1.00000   0.01100
SiT1   0.50000   0.00000   0.11990   1.00000   0.00800
AlT2   0.19810   0.75000   0.25000   0.50000   0.00700
SiT2   0.19810   0.75000   0.25000   0.50000   0.00700
O1  -0.75700   0.13620   0.07220   1.00000   0.00900
O2  -0.37500   0.22300   0.16990   1.00000   0.01400
O3   0.00000   0.50000   0.23000   1.00000   0.05300
O-H  -0.21800   0.30900   0.00000   1.00000   0.00500