The compound described by CsAlSiO4 crystallizes in the orthorhombic Pna2_1 space group. Cs(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AlO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Cs(1), one Al(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Al(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Al(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Cs(1), one Al(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_CsAlSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.491
_cell_length_b   9.130
_cell_length_c   9.545
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   478.446
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cs  Cs0  1  0.494  0.999  0.304  1.0
  Cs  Cs1  1  0.994  0.001  0.696  1.0
  Cs  Cs2  1  0.994  0.501  0.804  1.0
  Cs  Cs3  1  0.494  0.499  0.196  1.0
  Al  Al4  1  0.999  0.822  0.092  1.0
  Al  Al5  1  0.499  0.178  0.908  1.0
  Al  Al6  1  0.499  0.678  0.592  1.0
  Al  Al7  1  0.999  0.322  0.408  1.0
  Si  Si8  1  1.000  0.691  0.421  1.0
  Si  Si9  1  0.500  0.309  0.579  1.0
  Si  Si10  1  0.500  0.809  0.921  1.0
  Si  Si11  1  1.000  0.191  0.079  1.0
  O  O12  1  0.999  0.513  0.406  1.0
  O  O13  1  0.499  0.487  0.594  1.0
  O  O14  1  0.499  0.987  0.906  1.0
  O  O15  1  0.999  0.013  0.094  1.0
  O  O16  1  0.747  0.748  0.496  1.0
  O  O17  1  0.247  0.252  0.504  1.0
  O  O18  1  0.247  0.752  0.996  1.0
  O  O19  1  0.747  0.248  0.004  1.0
  O  O20  1  0.229  0.747  0.518  1.0
  O  O21  1  0.729  0.253  0.482  1.0
  O  O22  1  0.729  0.753  0.018  1.0
  O  O23  1  0.229  0.247  0.982  1.0
  O  O24  1  0.025  0.765  0.266  1.0
  O  O25  1  0.525  0.235  0.734  1.0
  O  O26  1  0.525  0.735  0.766  1.0
  O  O27  1  0.025  0.265  0.234  1.0
[/CIF]
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The compound described by CsAlSiO4 crystallizes in the orthorhombic Pna2_1 space group. Cs(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AlO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Cs(1), one Al(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Al(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Al(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Cs(1), one Al(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_CsAlSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.491
_cell_length_b   9.130
_cell_length_c   9.545
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   478.446
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cs  Cs0  1  0.494  0.999  0.304  1.0
  Cs  Cs1  1  0.994  0.001  0.696  1.0
  Cs  Cs2  1  0.994  0.501  0.804  1.0
  Cs  Cs3  1  0.494  0.499  0.196  1.0
  Al  Al4  1  0.999  0.822  0.092  1.0
  Al  Al5  1  0.499  0.178  0.908  1.0
  Al  Al6  1  0.499  0.678  0.592  1.0
  Al  Al7  1  0.999  0.322  0.408  1.0
  Si  Si8  1  1.000  0.691  0.421  1.0
  Si  Si9  1  0.500  0.309  0.579  1.0
  Si  Si10  1  0.500  0.809  0.921  1.0
  Si  Si11  1  1.000  0.191  0.079  1.0
  O  O12  1  0.999  0.513  0.406  1.0
  O  O13  1  0.499  0.487  0.594  1.0
  O  O14  1  0.499  0.987  0.906  1.0
  O  O15  1  0.999  0.013  0.094  1.0
  O  O16  1  0.747  0.748  0.496  1.0
  O  O17  1  0.247  0.252  0.504  1.0
  O  O18  1  0.247  0.752  0.996  1.0
  O  O19  1  0.747  0.248  0.004  1.0
  O  O20  1  0.229  0.747  0.518  1.0
  O  O21  1  0.729  0.253  0.482  1.0
  O  O22  1  0.729  0.753  0.018  1.0
  O  O23  1  0.229  0.247  0.982  1.0
  O  O24  1  0.025  0.765  0.266  1.0
  O  O25  1  0.525  0.235  0.734  1.0
  O  O26  1  0.525  0.735  0.766  1.0
  O  O27  1  0.025  0.265  0.234  1.0
[/CIF]
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