data_9001107
_chemical_name 'Ashcroftine-(Y)'
loop_
_publ_author_name
'Moore P B'
'Sen Gupta P K'
'Schlemper E O'
'Merlino S'
_journal_name_full "American Mineralogist"
_journal_volume 72
_journal_year 1987
_journal_page_first 1176
_journal_page_last 1189
_publ_section_title
;
 Ashcroftine, ca. K10Na10(Y,Ca)24(OH)4(CO3)16(Si56O140).16H2O, a
 structure with enormous polyanions
 Sample: investigated by Moore, Sen Gupta, Schlemper
;
_chemical_formula_sum 'Si54.16 O202.96 C16 Y24 K10.4 Na8.26 H16.4'
_cell_length_a 23.994
_cell_length_b 23.994
_cell_length_c 17.512
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 10081.868
_symmetry_space_group_name_H-M 'I 4/m m m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'y,x,-z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,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,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,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,-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
Si1   0.24140   0.15100   0.41280   1.00000
Si2   0.26970   0.06350   0.29450   1.00000
Si3   0.21880   0.06300   0.13390   1.00000
O1   0.23710   0.09350   0.36440   1.00000
O2   0.22350   0.06190   0.22640   1.00000
O3   0.30180   0.17800   0.40340   1.00000
O4   0.26820   0.09700   0.09580   1.00000
O5   0.32470   0.09580   0.26950   1.00000
O6   0.15950   0.08750   0.11600   1.00000
O7   0.19120   0.19120   0.38480   1.00000
O8   0.22970   0.13220   0.50000   1.00000
O9   0.28070   0.00000   0.32050   1.00000
O10   0.22000   0.00000   0.10330   1.00000
C1   0.40020   0.00000   0.15820   1.00000
O11   0.42610   0.04690   0.17130   1.00000
O12   0.35290   0.00000   0.13150   1.00000
C2   0.37090   0.09230   0.50000   1.00000
O13   0.35960   0.06930   0.43530   1.00000
O14   0.39320   0.14110   0.50000   1.00000
O-H1   0.24730   0.24730   0.50000   1.00000
OW1   0.12640   0.12640   0.27820   1.00000
OW2   0.50000   0.00000   0.00000   1.00000
Y1   0.35560   0.11520   0.14680   1.00000
Y2   0.26790   0.16180   0.00000   1.00000
K1   0.27040   0.00000   0.50000   1.00000
K2   0.30570   0.00000   0.00000   1.00000
Na1   0.50000   0.00000   0.25000   1.00000
SiT1D   0.13360   0.13360   0.06220   0.38000
SiT2D   0.09860   0.09860   0.09050   0.39000
K1D   0.21580   0.21580   0.20570   0.30000
Na1D   0.41810   0.00000   0.39240   0.45000
Na2D   0.39000   0.00000   0.35850   0.28000
Na3D   0.00000   0.00000   0.00000   0.42000
O-H1D   0.18590   0.18590   0.07720   0.49000
O-H2D   0.05320   0.05320   0.12700   0.30000
O-H3D   0.14410   0.10860   0.00000   0.13000
O4D   0.09830   0.09830   0.00000   0.54000
O-H5D   0.10360   0.00000   0.00000   0.36000
O-H6D   0.17330   0.17330   0.00000   0.50000