The material described by CaAl2Si3O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 4-coordinate geometry to one O(10), one O(16), one O(6), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 3-coordinate geometry to one O(10), one O(5), and one O(9) atom. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(11), one O(14), and one O(17) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and  a cornercorner with one Al(4)O4 trigonal pyramid. In the second Al site, Al(2) is bonded to one O(12), one O(13), one O(18), and one O(2) atom to form AlO4 tetrahedra that share  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. In the third Al site, Al(3) is bonded to one O(19), one O(2), one O(3), and one O(9) atom to form distorted AlO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and  an edgeedge with one Si(2)O4 tetrahedra. In the fourth Al site, Al(4) is bonded to one O(1), one O(10), one O(20), and one O(4) atom to form distorted AlO4 trigonal pyramids that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(10), one O(12), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra, and  an edgeedge with one Al(4)O4 trigonal pyramid. In the second Si site, Si(2) is bonded to one O(11), one O(2), one O(4), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(4)O4 trigonal pyramid, and  an edgeedge with one Al(3)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(15), one O(18), one O(5), and one O(7) atom to form distorted SiO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra and  an edgeedge with one Si(5)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(16), one O(17), one O(6), and one O(8) atom to form distorted SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra and  an edgeedge with one Si(6)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(13), one O(15), one O(20), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(4)O4 trigonal pyramid, and  an edgeedge with one Si(3)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(14), one O(16), one O(19), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra, and  an edgeedge with one Si(4)O4 tetrahedra. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Al(1), one Al(4), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Al(2), one Al(3), and one Si(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Al(3) and one Si(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Al(4) and one Si(2) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Ca(2) and one Si(3) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Ca(1) and one Si(4) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Si(3) and one Si(5) atom. In the eighth O site, O(8) is bonded in an L-shaped geometry to one Si(4) and one Si(6) atom. In the ninth O site, O(9) is bonded to one Ca(1), one Ca(2), one Al(3), and one Si(2) atom to form distorted corner-sharing OCa2AlSi tetrahedra. In the tenth O site, O(10) is bonded to one Ca(1), one Ca(2), one Al(4), and one Si(1) atom to form distorted corner-sharing OCa2AlSi tetrahedra. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Al(1) and one Si(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Al(2) and one Si(1) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Al(2) and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one Al(1) and one Si(6) atom. In the fifteenth O site, O(15) is bonded in a distorted L-shaped geometry to one Si(3) and one Si(5) atom. In the sixteenth O site, O(16) is bonded in a distorted L-shaped geometry to one Ca(1), one Si(4), and one Si(6) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Al(1) and one Si(4) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Al(2) and one Si(3) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Al(3) and one Si(6) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Al(4) and one Si(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaAl2Si3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.059
_cell_length_b   9.683
_cell_length_c   9.763
_cell_angle_alpha   75.871
_cell_angle_beta   79.814
_cell_angle_gamma   98.737
_symmetry_Int_Tables_number   1
_cell_volume   711.850
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.383  0.279  0.809  1.0
  Ca  Ca1  1  0.880  0.182  0.723  1.0
  Al  Al2  1  0.721  0.739  0.983  1.0
  Al  Al3  1  0.213  0.015  0.258  1.0
  Al  Al4  1  0.623  0.152  0.076  1.0
  Al  Al5  1  0.130  0.922  0.850  1.0
  Si  Si6  1  0.964  0.011  0.043  1.0
  Si  Si7  1  0.466  0.957  0.987  1.0
  Si  Si8  1  0.053  0.169  0.442  1.0
  Si  Si9  1  0.558  0.559  0.835  1.0
  Si  Si10  1  0.111  0.940  0.560  1.0
  Si  Si11  1  0.608  0.440  0.064  1.0
  O  O12  1  0.918  0.865  0.977  1.0
  O  O13  1  0.413  0.024  0.131  1.0
  O  O14  1  0.814  0.095  0.081  1.0
  O  O15  1  0.322  0.919  0.902  1.0
  O  O16  1  0.945  0.278  0.495  1.0
  O  O17  1  0.452  0.509  0.726  1.0
  O  O18  1  0.934  0.992  0.512  1.0
  O  O19  1  0.438  0.501  0.011  1.0
  O  O20  1  0.595  0.124  0.891  1.0
  O  O21  1  0.095  0.107  0.877  1.0
  O  O22  1  0.572  0.838  0.040  1.0
  O  O23  1  0.067  0.957  0.163  1.0
  O  O24  1  0.223  0.901  0.425  1.0
  O  O25  1  0.728  0.571  0.099  1.0
  O  O26  1  0.182  0.117  0.565  1.0
  O  O27  1  0.678  0.426  0.890  1.0
  O  O28  1  0.678  0.717  0.816  1.0
  O  O29  1  0.163  0.183  0.281  1.0
  O  O30  1  0.584  0.278  0.169  1.0
  O  O31  1  0.097  0.837  0.719  1.0
[/CIF]
.
The material described by CaAl2Si3O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 4-coordinate geometry to one O(10), one O(16), one O(6), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 3-coordinate geometry to one O(10), one O(5), and one O(9) atom. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(11), one O(14), and one O(17) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and  a cornercorner with one Al(4)O4 trigonal pyramid. In the second Al site, Al(2) is bonded to one O(12), one O(13), one O(18), and one O(2) atom to form AlO4 tetrahedra that share  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. In the third Al site, Al(3) is bonded to one O(19), one O(2), one O(3), and one O(9) atom to form distorted AlO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and  an edgeedge with one Si(2)O4 tetrahedra. In the fourth Al site, Al(4) is bonded to one O(1), one O(10), one O(20), and one O(4) atom to form distorted AlO4 trigonal pyramids that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(10), one O(12), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra, and  an edgeedge with one Al(4)O4 trigonal pyramid. In the second Si site, Si(2) is bonded to one O(11), one O(2), one O(4), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(4)O4 trigonal pyramid, and  an edgeedge with one Al(3)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(15), one O(18), one O(5), and one O(7) atom to form distorted SiO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra and  an edgeedge with one Si(5)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(16), one O(17), one O(6), and one O(8) atom to form distorted SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra and  an edgeedge with one Si(6)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(13), one O(15), one O(20), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(4)O4 trigonal pyramid, and  an edgeedge with one Si(3)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(14), one O(16), one O(19), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra, and  an edgeedge with one Si(4)O4 tetrahedra. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Al(1), one Al(4), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Al(2), one Al(3), and one Si(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Al(3) and one Si(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Al(4) and one Si(2) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Ca(2) and one Si(3) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Ca(1) and one Si(4) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Si(3) and one Si(5) atom. In the eighth O site, O(8) is bonded in an L-shaped geometry to one Si(4) and one Si(6) atom. In the ninth O site, O(9) is bonded to one Ca(1), one Ca(2), one Al(3), and one Si(2) atom to form distorted corner-sharing OCa2AlSi tetrahedra. In the tenth O site, O(10) is bonded to one Ca(1), one Ca(2), one Al(4), and one Si(1) atom to form distorted corner-sharing OCa2AlSi tetrahedra. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Al(1) and one Si(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Al(2) and one Si(1) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Al(2) and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one Al(1) and one Si(6) atom. In the fifteenth O site, O(15) is bonded in a distorted L-shaped geometry to one Si(3) and one Si(5) atom. In the sixteenth O site, O(16) is bonded in a distorted L-shaped geometry to one Ca(1), one Si(4), and one Si(6) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Al(1) and one Si(4) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Al(2) and one Si(3) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Al(3) and one Si(6) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Al(4) and one Si(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaAl2Si3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.059
_cell_length_b   9.683
_cell_length_c   9.763
_cell_angle_alpha   75.871
_cell_angle_beta   79.814
_cell_angle_gamma   98.737
_symmetry_Int_Tables_number   1
_cell_volume   711.850
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.383  0.279  0.809  1.0
  Ca  Ca1  1  0.880  0.182  0.723  1.0
  Al  Al2  1  0.721  0.739  0.983  1.0
  Al  Al3  1  0.213  0.015  0.258  1.0
  Al  Al4  1  0.623  0.152  0.076  1.0
  Al  Al5  1  0.130  0.922  0.850  1.0
  Si  Si6  1  0.964  0.011  0.043  1.0
  Si  Si7  1  0.466  0.957  0.987  1.0
  Si  Si8  1  0.053  0.169  0.442  1.0
  Si  Si9  1  0.558  0.559  0.835  1.0
  Si  Si10  1  0.111  0.940  0.560  1.0
  Si  Si11  1  0.608  0.440  0.064  1.0
  O  O12  1  0.918  0.865  0.977  1.0
  O  O13  1  0.413  0.024  0.131  1.0
  O  O14  1  0.814  0.095  0.081  1.0
  O  O15  1  0.322  0.919  0.902  1.0
  O  O16  1  0.945  0.278  0.495  1.0
  O  O17  1  0.452  0.509  0.726  1.0
  O  O18  1  0.934  0.992  0.512  1.0
  O  O19  1  0.438  0.501  0.011  1.0
  O  O20  1  0.595  0.124  0.891  1.0
  O  O21  1  0.095  0.107  0.877  1.0
  O  O22  1  0.572  0.838  0.040  1.0
  O  O23  1  0.067  0.957  0.163  1.0
  O  O24  1  0.223  0.901  0.425  1.0
  O  O25  1  0.728  0.571  0.099  1.0
  O  O26  1  0.182  0.117  0.565  1.0
  O  O27  1  0.678  0.426  0.890  1.0
  O  O28  1  0.678  0.717  0.816  1.0
  O  O29  1  0.163  0.183  0.281  1.0
  O  O30  1  0.584  0.278  0.169  1.0
  O  O31  1  0.097  0.837  0.719  1.0
[/CIF]
.