The compound described by Ca2FeAl2BSi4O16 crystallizes in the triclinic P-1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(15), one O(3), one O(4), one O(5), and one O(6) atom. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(16), one O(2), and two equivalent O(9) atoms. Fe(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(14), one O(2), one O(6), and one O(8) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(14), one O(15), one O(16), one O(5), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one B(1)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,  a cornercorner with one Si(4)O4 tetrahedra, and  an edgeedge with one Al(2)O6 octahedra. In the second Al site, Al(2) is bonded to one O(12), one O(13), one O(15), one O(16), and two equivalent O(7) atoms to form AlO6 octahedra that share  a cornercorner with one B(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  an edgeedge with one Al(1)O6 octahedra, and  an edgeedge with one Al(2)O6 octahedra. B(1) is bonded to one O(15), one O(3), one O(6), and one O(8) atom to form BO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-56°. There are four inequivalent Si sites. In the first Si site, 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  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second Si site, Si(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the third Si site, Si(3) is bonded to one O(10), one O(11), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the fourth Si site, Si(4) is bonded to one O(11), one O(12), one O(13), and one O(14) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-59°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Al(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ca(2), one Fe(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one B(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ca(1), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one Al(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one Fe(1), one B(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Al(2) and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one B(1), and one Si(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to two equivalent Ca(2), one Al(1), and one Si(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ca(1), one Fe(1), and one Si(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ca(2), one Al(2), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Ca(1), one Al(2), and one Si(4) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ca(2), one Fe(1), one Al(1), and one Si(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ca(1), one Al(1), one Al(2), and one B(1) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Ca(2), one Al(1), and one Al(2) atom. is represented by the CIF file [CIF]
data_Ca2Al2FeSi4BO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.265
_cell_length_b   9.019
_cell_length_c   9.193
_cell_angle_alpha   88.268
_cell_angle_beta   102.430
_cell_angle_gamma   98.454
_symmetry_Int_Tables_number   1
_cell_volume   581.828
_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  0.246  0.604  0.333  1.0
  Ca  Ca1  1  0.754  0.396  0.667  1.0
  Ca  Ca2  1  0.822  0.903  0.093  1.0
  Ca  Ca3  1  0.178  0.097  0.907  1.0
  Al  Al4  1  0.949  0.741  0.819  1.0
  Al  Al5  1  0.051  0.259  0.181  1.0
  Al  Al6  1  0.659  0.585  0.942  1.0
  Al  Al7  1  0.341  0.415  0.058  1.0
  Fe  Fe8  1  0.233  0.878  0.601  1.0
  Fe  Fe9  1  0.767  0.122  0.399  1.0
  Si  Si10  1  0.790  0.768  0.451  1.0
  Si  Si11  1  0.210  0.232  0.549  1.0
  Si  Si12  1  0.782  0.477  0.272  1.0
  Si  Si13  1  0.218  0.523  0.728  1.0
  Si  Si14  1  0.300  0.988  0.261  1.0
  Si  Si15  1  0.700  0.012  0.739  1.0
  Si  Si16  1  0.354  0.766  0.019  1.0
  Si  Si17  1  0.646  0.234  0.981  1.0
  B  B18  1  0.536  0.712  0.634  1.0
  B  B19  1  0.464  0.288  0.366  1.0
  O  O20  1  0.958  0.811  0.601  1.0
  O  O21  1  0.042  0.189  0.399  1.0
  O  O22  1  0.768  0.917  0.347  1.0
  O  O23  1  0.232  0.083  0.653  1.0
  O  O24  1  0.580  0.696  0.485  1.0
  O  O25  1  0.420  0.304  0.515  1.0
  O  O26  1  0.858  0.636  0.366  1.0
  O  O27  1  0.142  0.364  0.634  1.0
  O  O28  1  0.981  0.432  0.251  1.0
  O  O29  1  0.019  0.568  0.749  1.0
  O  O30  1  0.679  0.351  0.382  1.0
  O  O31  1  0.321  0.649  0.618  1.0
  O  O32  1  0.618  0.501  0.128  1.0
  O  O33  1  0.382  0.499  0.872  1.0
  O  O34  1  0.473  0.123  0.341  1.0
  O  O35  1  0.527  0.877  0.659  1.0
  O  O36  1  0.120  0.061  0.165  1.0
  O  O37  1  0.880  0.939  0.835  1.0
  O  O38  1  0.236  0.870  0.388  1.0
  O  O39  1  0.764  0.130  0.612  1.0
  O  O40  1  0.387  0.903  0.143  1.0
  O  O41  1  0.613  0.097  0.857  1.0
  O  O42  1  0.558  0.762  0.979  1.0
  O  O43  1  0.442  0.238  0.021  1.0
  O  O44  1  0.288  0.611  0.102  1.0
  O  O45  1  0.712  0.389  0.898  1.0
  O  O46  1  0.208  0.825  0.870  1.0
  O  O47  1  0.792  0.175  0.130  1.0
  O  O48  1  0.669  0.644  0.741  1.0
  O  O49  1  0.331  0.356  0.259  1.0
  O  O50  1  0.896  0.691  0.997  1.0
  O  O51  1  0.104  0.309  0.003  1.0
[/CIF]
.
The compound described by Ca2FeAl2BSi4O16 crystallizes in the triclinic P-1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(15), one O(3), one O(4), one O(5), and one O(6) atom. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(16), one O(2), and two equivalent O(9) atoms. Fe(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(14), one O(2), one O(6), and one O(8) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(14), one O(15), one O(16), one O(5), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one B(1)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,  a cornercorner with one Si(4)O4 tetrahedra, and  an edgeedge with one Al(2)O6 octahedra. In the second Al site, Al(2) is bonded to one O(12), one O(13), one O(15), one O(16), and two equivalent O(7) atoms to form AlO6 octahedra that share  a cornercorner with one B(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  an edgeedge with one Al(1)O6 octahedra, and  an edgeedge with one Al(2)O6 octahedra. B(1) is bonded to one O(15), one O(3), one O(6), and one O(8) atom to form BO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-56°. There are four inequivalent Si sites. In the first Si site, 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  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second Si site, Si(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the third Si site, Si(3) is bonded to one O(10), one O(11), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the fourth Si site, Si(4) is bonded to one O(11), one O(12), one O(13), and one O(14) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-59°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Al(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ca(2), one Fe(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one B(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ca(1), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one Al(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one Fe(1), one B(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Al(2) and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one B(1), and one Si(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to two equivalent Ca(2), one Al(1), and one Si(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ca(1), one Fe(1), and one Si(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ca(2), one Al(2), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Ca(1), one Al(2), and one Si(4) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ca(2), one Fe(1), one Al(1), and one Si(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ca(1), one Al(1), one Al(2), and one B(1) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Ca(2), one Al(1), and one Al(2) atom. is represented by the CIF file [CIF]
data_Ca2Al2FeSi4BO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.265
_cell_length_b   9.019
_cell_length_c   9.193
_cell_angle_alpha   88.268
_cell_angle_beta   102.430
_cell_angle_gamma   98.454
_symmetry_Int_Tables_number   1
_cell_volume   581.828
_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  0.246  0.604  0.333  1.0
  Ca  Ca1  1  0.754  0.396  0.667  1.0
  Ca  Ca2  1  0.822  0.903  0.093  1.0
  Ca  Ca3  1  0.178  0.097  0.907  1.0
  Al  Al4  1  0.949  0.741  0.819  1.0
  Al  Al5  1  0.051  0.259  0.181  1.0
  Al  Al6  1  0.659  0.585  0.942  1.0
  Al  Al7  1  0.341  0.415  0.058  1.0
  Fe  Fe8  1  0.233  0.878  0.601  1.0
  Fe  Fe9  1  0.767  0.122  0.399  1.0
  Si  Si10  1  0.790  0.768  0.451  1.0
  Si  Si11  1  0.210  0.232  0.549  1.0
  Si  Si12  1  0.782  0.477  0.272  1.0
  Si  Si13  1  0.218  0.523  0.728  1.0
  Si  Si14  1  0.300  0.988  0.261  1.0
  Si  Si15  1  0.700  0.012  0.739  1.0
  Si  Si16  1  0.354  0.766  0.019  1.0
  Si  Si17  1  0.646  0.234  0.981  1.0
  B  B18  1  0.536  0.712  0.634  1.0
  B  B19  1  0.464  0.288  0.366  1.0
  O  O20  1  0.958  0.811  0.601  1.0
  O  O21  1  0.042  0.189  0.399  1.0
  O  O22  1  0.768  0.917  0.347  1.0
  O  O23  1  0.232  0.083  0.653  1.0
  O  O24  1  0.580  0.696  0.485  1.0
  O  O25  1  0.420  0.304  0.515  1.0
  O  O26  1  0.858  0.636  0.366  1.0
  O  O27  1  0.142  0.364  0.634  1.0
  O  O28  1  0.981  0.432  0.251  1.0
  O  O29  1  0.019  0.568  0.749  1.0
  O  O30  1  0.679  0.351  0.382  1.0
  O  O31  1  0.321  0.649  0.618  1.0
  O  O32  1  0.618  0.501  0.128  1.0
  O  O33  1  0.382  0.499  0.872  1.0
  O  O34  1  0.473  0.123  0.341  1.0
  O  O35  1  0.527  0.877  0.659  1.0
  O  O36  1  0.120  0.061  0.165  1.0
  O  O37  1  0.880  0.939  0.835  1.0
  O  O38  1  0.236  0.870  0.388  1.0
  O  O39  1  0.764  0.130  0.612  1.0
  O  O40  1  0.387  0.903  0.143  1.0
  O  O41  1  0.613  0.097  0.857  1.0
  O  O42  1  0.558  0.762  0.979  1.0
  O  O43  1  0.442  0.238  0.021  1.0
  O  O44  1  0.288  0.611  0.102  1.0
  O  O45  1  0.712  0.389  0.898  1.0
  O  O46  1  0.208  0.825  0.870  1.0
  O  O47  1  0.792  0.175  0.130  1.0
  O  O48  1  0.669  0.644  0.741  1.0
  O  O49  1  0.331  0.356  0.259  1.0
  O  O50  1  0.896  0.691  0.997  1.0
  O  O51  1  0.104  0.309  0.003  1.0
[/CIF]
.