The crystal structure described by Ca8In3 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 3-coordinate geometry to one In(2), one In(4), and one In(6) atom. In the second Ca site, Ca(2) is bonded in a 4-coordinate geometry to one In(1), one In(3), one In(4), and one In(6) atom. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to one In(2), one In(3), one In(4), and one In(5) atom. In the fourth Ca site, Ca(4) is bonded in a 4-coordinate geometry to one In(1), one In(2), one In(4), and one In(6) atom. In the fifth Ca site, Ca(5) is bonded in a 4-coordinate geometry to one In(1), one In(2), one In(3), and one In(5) atom. In the sixth Ca site, Ca(6) is bonded in a 3-coordinate geometry to one In(3), one In(4), and one In(6) atom. In the seventh Ca site, Ca(7) is bonded in a 4-coordinate geometry to one In(2), one In(3), one In(4), and one In(5) atom. In the eighth Ca site, Ca(8) is bonded in a 4-coordinate geometry to one In(1), one In(4), one In(5), and one In(6) atom. In the ninth Ca site, Ca(9) is bonded in a 4-coordinate geometry to one In(2), one In(3), one In(5), and one In(6) atom. In the tenth Ca site, Ca(10) is bonded in a distorted trigonal non-coplanar geometry to one In(1), one In(3), and one In(6) atom. In the eleventh Ca site, Ca(11) is bonded in a distorted trigonal non-coplanar geometry to one In(1), one In(3), and one In(4) atom. In the twelfth Ca site, Ca(12) is bonded in a 4-coordinate geometry to one In(1), one In(2), one In(3), and one In(5) atom. In the thirteenth Ca site, Ca(13) is bonded in a distorted trigonal non-coplanar geometry to one In(1), one In(2), and one In(4) atom. In the fourteenth Ca site, Ca(14) is bonded in a distorted trigonal non-coplanar geometry to one In(1), one In(2), and one In(6) atom. In the fifteenth Ca site, Ca(15) is bonded in a 4-coordinate geometry to one In(1), one In(4), one In(5), and one In(6) atom. In the sixteenth Ca site, Ca(16) is bonded in a 4-coordinate geometry to one In(2), one In(3), one In(5), and one In(6) atom. There are six inequivalent In sites. In the first In site, In(1) is bonded in a distorted q6 geometry to one Ca(10), one Ca(11), one Ca(12), one Ca(13), one Ca(14), one Ca(15), one Ca(2), one Ca(4), one Ca(5), and one Ca(8) atom. In the second In site, In(2) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(12), one Ca(13), one Ca(14), one Ca(16), one Ca(3), one Ca(4), one Ca(5), one Ca(7), and one Ca(9) atom. In the third In site, In(3) is bonded in a 10-coordinate geometry to one Ca(10), one Ca(11), one Ca(12), one Ca(16), one Ca(2), one Ca(3), one Ca(5), one Ca(6), one Ca(7), and one Ca(9) atom. In the fourth In site, In(4) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(11), one Ca(13), one Ca(15), one Ca(2), one Ca(3), one Ca(4), one Ca(6), one Ca(7), and one Ca(8) atom. In the fifth In site, In(5) is bonded in a body-centered cubic geometry to one Ca(12), one Ca(15), one Ca(16), one Ca(3), one Ca(5), one Ca(7), one Ca(8), and one Ca(9) atom. In the sixth In site, In(6) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(10), one Ca(14), one Ca(15), one Ca(16), one Ca(2), one Ca(4), one Ca(6), one Ca(8), and one Ca(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca8In3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.591
_cell_length_b   9.682
_cell_length_c   9.752
_cell_angle_alpha   99.075
_cell_angle_beta   100.989
_cell_angle_gamma   119.695
_symmetry_Int_Tables_number   1
_cell_volume   737.683
_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  0.296  0.941  0.782  1.0
  Ca  Ca1  1  0.869  0.582  0.762  1.0
  Ca  Ca2  1  0.038  0.380  0.222  1.0
  Ca  Ca3  1  0.804  0.178  0.461  1.0
  Ca  Ca4  1  0.669  0.758  0.221  1.0
  Ca  Ca5  1  0.376  0.819  0.441  1.0
  Ca  Ca6  1  0.258  0.650  0.005  1.0
  Ca  Ca7  1  0.216  0.282  0.760  1.0
  Ca  Ca8  1  0.415  0.111  0.218  1.0
  Ca  Ca9  1  0.110  0.032  0.411  1.0
  Ca  Ca10  1  0.878  0.589  0.408  1.0
  Ca  Ca11  1  0.004  0.003  0.002  1.0
  Ca  Ca12  1  0.563  0.728  0.812  1.0
  Ca  Ca13  1  0.793  0.170  0.814  1.0
  Ca  Ca14  1  0.456  0.479  0.463  1.0
  Ca  Ca15  1  0.634  0.381  0.001  1.0
  In  In16  1  0.836  0.880  0.612  1.0
  In  In17  1  0.660  0.040  0.085  1.0
  In  In18  1  0.012  0.720  0.138  1.0
  In  In19  1  0.163  0.543  0.611  1.0
  In  In20  1  0.337  0.381  0.112  1.0
  In  In21  1  0.510  0.217  0.612  1.0
[/CIF]
.
The crystal structure described by Ca8In3 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 3-coordinate geometry to one In(2), one In(4), and one In(6) atom. In the second Ca site, Ca(2) is bonded in a 4-coordinate geometry to one In(1), one In(3), one In(4), and one In(6) atom. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to one In(2), one In(3), one In(4), and one In(5) atom. In the fourth Ca site, Ca(4) is bonded in a 4-coordinate geometry to one In(1), one In(2), one In(4), and one In(6) atom. In the fifth Ca site, Ca(5) is bonded in a 4-coordinate geometry to one In(1), one In(2), one In(3), and one In(5) atom. In the sixth Ca site, Ca(6) is bonded in a 3-coordinate geometry to one In(3), one In(4), and one In(6) atom. In the seventh Ca site, Ca(7) is bonded in a 4-coordinate geometry to one In(2), one In(3), one In(4), and one In(5) atom. In the eighth Ca site, Ca(8) is bonded in a 4-coordinate geometry to one In(1), one In(4), one In(5), and one In(6) atom. In the ninth Ca site, Ca(9) is bonded in a 4-coordinate geometry to one In(2), one In(3), one In(5), and one In(6) atom. In the tenth Ca site, Ca(10) is bonded in a distorted trigonal non-coplanar geometry to one In(1), one In(3), and one In(6) atom. In the eleventh Ca site, Ca(11) is bonded in a distorted trigonal non-coplanar geometry to one In(1), one In(3), and one In(4) atom. In the twelfth Ca site, Ca(12) is bonded in a 4-coordinate geometry to one In(1), one In(2), one In(3), and one In(5) atom. In the thirteenth Ca site, Ca(13) is bonded in a distorted trigonal non-coplanar geometry to one In(1), one In(2), and one In(4) atom. In the fourteenth Ca site, Ca(14) is bonded in a distorted trigonal non-coplanar geometry to one In(1), one In(2), and one In(6) atom. In the fifteenth Ca site, Ca(15) is bonded in a 4-coordinate geometry to one In(1), one In(4), one In(5), and one In(6) atom. In the sixteenth Ca site, Ca(16) is bonded in a 4-coordinate geometry to one In(2), one In(3), one In(5), and one In(6) atom. There are six inequivalent In sites. In the first In site, In(1) is bonded in a distorted q6 geometry to one Ca(10), one Ca(11), one Ca(12), one Ca(13), one Ca(14), one Ca(15), one Ca(2), one Ca(4), one Ca(5), and one Ca(8) atom. In the second In site, In(2) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(12), one Ca(13), one Ca(14), one Ca(16), one Ca(3), one Ca(4), one Ca(5), one Ca(7), and one Ca(9) atom. In the third In site, In(3) is bonded in a 10-coordinate geometry to one Ca(10), one Ca(11), one Ca(12), one Ca(16), one Ca(2), one Ca(3), one Ca(5), one Ca(6), one Ca(7), and one Ca(9) atom. In the fourth In site, In(4) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(11), one Ca(13), one Ca(15), one Ca(2), one Ca(3), one Ca(4), one Ca(6), one Ca(7), and one Ca(8) atom. In the fifth In site, In(5) is bonded in a body-centered cubic geometry to one Ca(12), one Ca(15), one Ca(16), one Ca(3), one Ca(5), one Ca(7), one Ca(8), and one Ca(9) atom. In the sixth In site, In(6) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(10), one Ca(14), one Ca(15), one Ca(16), one Ca(2), one Ca(4), one Ca(6), one Ca(8), and one Ca(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca8In3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.591
_cell_length_b   9.682
_cell_length_c   9.752
_cell_angle_alpha   99.075
_cell_angle_beta   100.989
_cell_angle_gamma   119.695
_symmetry_Int_Tables_number   1
_cell_volume   737.683
_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  0.296  0.941  0.782  1.0
  Ca  Ca1  1  0.869  0.582  0.762  1.0
  Ca  Ca2  1  0.038  0.380  0.222  1.0
  Ca  Ca3  1  0.804  0.178  0.461  1.0
  Ca  Ca4  1  0.669  0.758  0.221  1.0
  Ca  Ca5  1  0.376  0.819  0.441  1.0
  Ca  Ca6  1  0.258  0.650  0.005  1.0
  Ca  Ca7  1  0.216  0.282  0.760  1.0
  Ca  Ca8  1  0.415  0.111  0.218  1.0
  Ca  Ca9  1  0.110  0.032  0.411  1.0
  Ca  Ca10  1  0.878  0.589  0.408  1.0
  Ca  Ca11  1  0.004  0.003  0.002  1.0
  Ca  Ca12  1  0.563  0.728  0.812  1.0
  Ca  Ca13  1  0.793  0.170  0.814  1.0
  Ca  Ca14  1  0.456  0.479  0.463  1.0
  Ca  Ca15  1  0.634  0.381  0.001  1.0
  In  In16  1  0.836  0.880  0.612  1.0
  In  In17  1  0.660  0.040  0.085  1.0
  In  In18  1  0.012  0.720  0.138  1.0
  In  In19  1  0.163  0.543  0.611  1.0
  In  In20  1  0.337  0.381  0.112  1.0
  In  In21  1  0.510  0.217  0.612  1.0
[/CIF]
.