data_9004127
_chemical_name 'Caysichite-(Y)'
loop_
_publ_author_name
'Mellini M'
'Merlino S'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 16
_journal_year 1978
_journal_page_first 81
_journal_page_last 88
_publ_section_title
;
 Caysichite: A double crankshaft chain structure
;
_chemical_formula_sum 'Y2.5 Ca1.5 Si4 O23 C3 H9'
_cell_length_a 13.27
_cell_length_b 13.91
_cell_length_c 9.73
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1796.019
_symmetry_space_group_name_H-M 'C c m 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,-y,1/2+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_Uiso_or_equiv
Y   0.14030   0.17100   0.04220   1.00000 ?
Ca   0.14710   0.16470   0.45740   0.75000 ?
Y   0.14710   0.16470   0.45740   0.25000 ?
Si1   0.39900   0.11030   0.08800   1.00000 ?
Si2   0.40690   0.11180   0.40390   1.00000 ?
O1   0.36720   0.00000   0.06180   1.00000 ?
O2   0.37740   0.00000   0.43110   1.00000 ?
O3   0.43900   0.12280   0.24570   1.00000 ?
O4   0.30920   0.18080   0.05590   1.00000 ?
O5   0.31870   0.18310   0.45550   1.00000 ?
O6   0.49530   0.13820  -0.00540   1.00000 ?
Wat12   0.15200   0.27800   0.24820   1.00000 ?
Wat13   0.34780   0.00000   0.74450   1.00000 ?
Wat14   0.16980   0.00000   0.52970   0.50000 ?
O-H14   0.16980   0.00000   0.52970   0.50000 ?
C1   0.06810   0.15270   0.75620   1.00000   0.01127
C2   0.16220   0.00000   0.18510   1.00000   0.00861
O7   0.16320   0.13810   0.77010   1.00000   0.03052
O8   0.02260   0.15970   0.64070   1.00000   0.01596
O9   0.02000   0.16350   0.86930   1.00000   0.01381
O10   0.13910   0.00000   0.05830   1.00000   0.02014
O11   0.17210   0.08090   0.25380   1.00000   0.00874