data_9000605
_chemical_name 'Hydroxyapophyllite'
loop_
_publ_author_name
'Rouse R C'
'Peacor D R'
'Dunn P J'
_journal_name_full "American Mineralogist"
_journal_volume 63
_journal_year 1978
_journal_page_first 196
_journal_page_last 202
_publ_section_title
;
 Hydroxyapophyllite, a new mineral, and a redefinition of the apophyllite group
 II. Crystal structure
 Note: sample is from Kimberley, South Africa
;
_chemical_formula_sum 'K Ca4 Si8 O29 H17'
_cell_length_a 8.979
_cell_length_b 8.979
_cell_length_c 15.830
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1276.253
_symmetry_space_group_name_H-M 'P 4/m n c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-y,1/2-x,1/2+z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '-y,x,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  '1/2+y,1/2+x,1/2+z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  'y,-x,z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+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_Uiso_or_equiv
K   0.00000   0.00000   0.50000 ?
Ca   0.11080   0.24750   0.00000 ?
Si   0.22650   0.08640   0.18964 ?
O1   0.86370   0.36370   0.25000 ?
O2   0.08640   0.18900   0.21660 ?
O3   0.26570   0.10250   0.09250 ?
O4   0.21520   0.45040   0.08890 ?
O-H   0.00000   0.00000   0.00000 ?
H1   0.45300   0.13500   0.10600   0.08612
H2   0.21400   0.43200   0.13400   0.00760