The material described by Ca3(Si3O11)2 crystallizes in the triclinic P1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(14), one O(18), one O(19), and one O(4) atom. In the second Ca site, Ca(2) is bonded to one O(11), one O(12), one O(15), one O(22), and one O(5) atom to form distorted CaO5 trigonal bipyramids that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(22), one O(4), and one O(5) atom. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and  a cornercorner with one Ca(2)O5 trigonal bipyramid. In the third Si site, Si(3) is bonded to one O(11), one O(6), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  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 Ca(2)O5 trigonal bipyramid. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Ca(2)O5 trigonal bipyramid. In the fifth Si site, Si(5) is bonded to one O(10), one O(13), one O(14), and one O(2) atom to form corner-sharing SiO4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(13), one O(15), one O(3), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Ca(2)O5 trigonal bipyramid. There are twenty-two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(5) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ca(1), one Ca(3), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(2), one Ca(3), and one Si(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(6) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Si(4) and one Si(5) atom. In the eleventh O site, O(11) is bonded in a distorted tetrahedral geometry to one Ca(1), one Ca(2), one Ca(3), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Si(5) and one Si(6) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Ca(1) and one Si(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Ca(2), one Ca(3), and one Si(6) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one O(21) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one O(19) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Ca(1) and one O(21) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Ca(1) and one O(17) atom. In the twentieth O site, O(20) is bonded in a single-bond geometry to one O(22) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one O(16) and one O(18) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Ca(2), one Ca(3), and one O(20) atom. is represented by the CIF file [CIF]
data_Ca3(Si3O11)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.334
_cell_length_b   7.491
_cell_length_c   10.005
_cell_angle_alpha   68.174
_cell_angle_beta   83.696
_cell_angle_gamma   74.832
_symmetry_Int_Tables_number   1
_cell_volume   492.472
_cell_formula_units_Z   1
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  0.464  0.330  0.164  1.0
  Ca  Ca1  1  0.535  0.720  0.859  1.0
  Ca  Ca2  1  0.553  0.174  0.853  1.0
  Si  Si3  1  0.842  0.946  0.145  1.0
  Si  Si4  1  0.118  0.102  0.878  1.0
  Si  Si5  1  0.155  0.506  0.891  1.0
  Si  Si6  1  0.866  0.517  0.148  1.0
  Si  Si7  1  0.826  0.129  0.377  1.0
  Si  Si8  1  0.930  0.938  0.706  1.0
  O  O9  1  0.016  0.995  0.029  1.0
  O  O10  1  0.893  0.973  0.290  1.0
  O  O11  1  0.002  0.103  0.746  1.0
  O  O12  1  0.642  0.092  0.078  1.0
  O  O13  1  0.339  0.995  0.876  1.0
  O  O14  1  0.095  0.339  0.848  1.0
  O  O15  1  0.841  0.714  0.188  1.0
  O  O16  1  0.066  0.499  0.050  1.0
  O  O17  1  0.085  0.723  0.765  1.0
  O  O18  1  0.917  0.323  0.297  1.0
  O  O19  1  0.384  0.460  0.904  1.0
  O  O20  1  0.684  0.523  0.067  1.0
  O  O21  1  0.930  0.009  0.532  1.0
  O  O22  1  0.598  0.194  0.381  1.0
  O  O23  1  0.725  0.926  0.779  1.0
  O  O24  1  0.460  0.455  0.486  1.0
  O  O25  1  0.404  0.877  0.463  1.0
  O  O26  1  0.281  0.557  0.296  1.0
  O  O27  1  0.313  0.974  0.353  1.0
  O  O28  1  0.830  0.553  0.562  1.0
  O  O29  1  0.294  0.491  0.437  1.0
  O  O30  1  0.719  0.527  0.666  1.0
[/CIF]
.
The material described by Ca3(Si3O11)2 crystallizes in the triclinic P1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(14), one O(18), one O(19), and one O(4) atom. In the second Ca site, Ca(2) is bonded to one O(11), one O(12), one O(15), one O(22), and one O(5) atom to form distorted CaO5 trigonal bipyramids that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(22), one O(4), and one O(5) atom. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and  a cornercorner with one Ca(2)O5 trigonal bipyramid. In the third Si site, Si(3) is bonded to one O(11), one O(6), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  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 Ca(2)O5 trigonal bipyramid. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Ca(2)O5 trigonal bipyramid. In the fifth Si site, Si(5) is bonded to one O(10), one O(13), one O(14), and one O(2) atom to form corner-sharing SiO4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(13), one O(15), one O(3), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Ca(2)O5 trigonal bipyramid. There are twenty-two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(5) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ca(1), one Ca(3), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(2), one Ca(3), and one Si(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(6) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Si(4) and one Si(5) atom. In the eleventh O site, O(11) is bonded in a distorted tetrahedral geometry to one Ca(1), one Ca(2), one Ca(3), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Si(5) and one Si(6) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Ca(1) and one Si(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Ca(2), one Ca(3), and one Si(6) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one O(21) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one O(19) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Ca(1) and one O(21) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Ca(1) and one O(17) atom. In the twentieth O site, O(20) is bonded in a single-bond geometry to one O(22) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one O(16) and one O(18) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Ca(2), one Ca(3), and one O(20) atom. is represented by the CIF file [CIF]
data_Ca3(Si3O11)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.334
_cell_length_b   7.491
_cell_length_c   10.005
_cell_angle_alpha   68.174
_cell_angle_beta   83.696
_cell_angle_gamma   74.832
_symmetry_Int_Tables_number   1
_cell_volume   492.472
_cell_formula_units_Z   1
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  0.464  0.330  0.164  1.0
  Ca  Ca1  1  0.535  0.720  0.859  1.0
  Ca  Ca2  1  0.553  0.174  0.853  1.0
  Si  Si3  1  0.842  0.946  0.145  1.0
  Si  Si4  1  0.118  0.102  0.878  1.0
  Si  Si5  1  0.155  0.506  0.891  1.0
  Si  Si6  1  0.866  0.517  0.148  1.0
  Si  Si7  1  0.826  0.129  0.377  1.0
  Si  Si8  1  0.930  0.938  0.706  1.0
  O  O9  1  0.016  0.995  0.029  1.0
  O  O10  1  0.893  0.973  0.290  1.0
  O  O11  1  0.002  0.103  0.746  1.0
  O  O12  1  0.642  0.092  0.078  1.0
  O  O13  1  0.339  0.995  0.876  1.0
  O  O14  1  0.095  0.339  0.848  1.0
  O  O15  1  0.841  0.714  0.188  1.0
  O  O16  1  0.066  0.499  0.050  1.0
  O  O17  1  0.085  0.723  0.765  1.0
  O  O18  1  0.917  0.323  0.297  1.0
  O  O19  1  0.384  0.460  0.904  1.0
  O  O20  1  0.684  0.523  0.067  1.0
  O  O21  1  0.930  0.009  0.532  1.0
  O  O22  1  0.598  0.194  0.381  1.0
  O  O23  1  0.725  0.926  0.779  1.0
  O  O24  1  0.460  0.455  0.486  1.0
  O  O25  1  0.404  0.877  0.463  1.0
  O  O26  1  0.281  0.557  0.296  1.0
  O  O27  1  0.313  0.974  0.353  1.0
  O  O28  1  0.830  0.553  0.562  1.0
  O  O29  1  0.294  0.491  0.437  1.0
  O  O30  1  0.719  0.527  0.666  1.0
[/CIF]
.