The structure described by Ca3InP3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one P(3), two equivalent P(2), and three equivalent P(1) atoms to form distorted CaP6 octahedra that share corners with four equivalent Ca(3)P5 square pyramids, corners with three equivalent In(1)P4 tetrahedra, edges with four equivalent Ca(1)P6 octahedra, edges with three equivalent In(1)P4 tetrahedra, and  a faceface with one Ca(3)P5 square pyramid. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(2), and two equivalent P(3) atoms. In the third Ca site, Ca(3) is bonded to two equivalent P(2) and three equivalent P(3) atoms to form CaP5 square pyramids that share corners with four equivalent Ca(1)P6 octahedra, corners with five equivalent In(1)P4 tetrahedra, edges with four equivalent Ca(3)P5 square pyramids, and  a faceface with one Ca(1)P6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In(1) is bonded to one P(2), one P(3), and two equivalent P(1) atoms to form distorted InP4 tetrahedra that share corners with three equivalent Ca(1)P6 octahedra, corners with five equivalent Ca(3)P5 square pyramids, corners with two equivalent In(1)P4 tetrahedra, and edges with three equivalent Ca(1)P6 octahedra. The corner-sharing octahedral tilt angles range from 17-47°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Ca(2), three equivalent Ca(1), and two equivalent In(1) atoms to form distorted PCa4In2 octahedra that share corners with three equivalent P(3)Ca6In pentagonal bipyramids, corners with four equivalent P(2)Ca6In pentagonal bipyramids, edges with four equivalent P(1)Ca4In2 octahedra, edges with two equivalent P(3)Ca6In pentagonal bipyramids, and edges with three equivalent P(2)Ca6In pentagonal bipyramids. In the second P site, P(2) is bonded to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(3), and one In(1) atom to form distorted PCa6In pentagonal bipyramids that share corners with four equivalent P(1)Ca4In2 octahedra, corners with four equivalent P(3)Ca6In pentagonal bipyramids, edges with three equivalent P(1)Ca4In2 octahedra, edges with three equivalent P(3)Ca6In pentagonal bipyramids,  a faceface with one P(3)Ca6In pentagonal bipyramid, and faces with two equivalent P(2)Ca6In pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 3-79°. In the third P site, P(3) is bonded to one Ca(1), two equivalent Ca(2), three equivalent Ca(3), and one In(1) atom to form distorted PCa6In pentagonal bipyramids that share corners with three equivalent P(1)Ca4In2 octahedra, corners with four equivalent P(2)Ca6In pentagonal bipyramids, edges with two equivalent P(1)Ca4In2 octahedra, edges with three equivalent P(2)Ca6In pentagonal bipyramids, edges with four equivalent P(3)Ca6In pentagonal bipyramids, and  a faceface with one P(2)Ca6In pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 7-63°. is represented by the CIF file [CIF]
data_Ca3InP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.152
_cell_length_b   12.065
_cell_length_c   13.525
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   677.522
_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
  Ca  Ca0  1  0.750  0.846  0.005  1.0
  Ca  Ca1  1  0.750  0.769  0.289  1.0
  Ca  Ca2  1  0.750  0.346  0.495  1.0
  Ca  Ca3  1  0.250  0.654  0.505  1.0
  Ca  Ca4  1  0.250  0.154  0.995  1.0
  Ca  Ca5  1  0.250  0.435  0.898  1.0
  Ca  Ca6  1  0.250  0.935  0.602  1.0
  Ca  Ca7  1  0.750  0.565  0.102  1.0
  Ca  Ca8  1  0.250  0.231  0.711  1.0
  Ca  Ca9  1  0.250  0.731  0.789  1.0
  Ca  Ca10  1  0.750  0.065  0.398  1.0
  Ca  Ca11  1  0.750  0.269  0.211  1.0
  In  In12  1  0.250  0.448  0.300  1.0
  In  In13  1  0.750  0.052  0.800  1.0
  In  In14  1  0.750  0.552  0.700  1.0
  In  In15  1  0.250  0.948  0.200  1.0
  P  P16  1  0.250  0.950  0.867  1.0
  P  P17  1  0.750  0.550  0.367  1.0
  P  P18  1  0.250  0.246  0.372  1.0
  P  P19  1  0.750  0.254  0.872  1.0
  P  P20  1  0.250  0.396  0.114  1.0
  P  P21  1  0.250  0.896  0.386  1.0
  P  P22  1  0.250  0.746  0.128  1.0
  P  P23  1  0.750  0.604  0.886  1.0
  P  P24  1  0.750  0.754  0.628  1.0
  P  P25  1  0.250  0.450  0.633  1.0
  P  P26  1  0.750  0.104  0.614  1.0
  P  P27  1  0.750  0.050  0.133  1.0
[/CIF]
.
The structure described by Ca3InP3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one P(3), two equivalent P(2), and three equivalent P(1) atoms to form distorted CaP6 octahedra that share corners with four equivalent Ca(3)P5 square pyramids, corners with three equivalent In(1)P4 tetrahedra, edges with four equivalent Ca(1)P6 octahedra, edges with three equivalent In(1)P4 tetrahedra, and  a faceface with one Ca(3)P5 square pyramid. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(2), and two equivalent P(3) atoms. In the third Ca site, Ca(3) is bonded to two equivalent P(2) and three equivalent P(3) atoms to form CaP5 square pyramids that share corners with four equivalent Ca(1)P6 octahedra, corners with five equivalent In(1)P4 tetrahedra, edges with four equivalent Ca(3)P5 square pyramids, and  a faceface with one Ca(1)P6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In(1) is bonded to one P(2), one P(3), and two equivalent P(1) atoms to form distorted InP4 tetrahedra that share corners with three equivalent Ca(1)P6 octahedra, corners with five equivalent Ca(3)P5 square pyramids, corners with two equivalent In(1)P4 tetrahedra, and edges with three equivalent Ca(1)P6 octahedra. The corner-sharing octahedral tilt angles range from 17-47°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Ca(2), three equivalent Ca(1), and two equivalent In(1) atoms to form distorted PCa4In2 octahedra that share corners with three equivalent P(3)Ca6In pentagonal bipyramids, corners with four equivalent P(2)Ca6In pentagonal bipyramids, edges with four equivalent P(1)Ca4In2 octahedra, edges with two equivalent P(3)Ca6In pentagonal bipyramids, and edges with three equivalent P(2)Ca6In pentagonal bipyramids. In the second P site, P(2) is bonded to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(3), and one In(1) atom to form distorted PCa6In pentagonal bipyramids that share corners with four equivalent P(1)Ca4In2 octahedra, corners with four equivalent P(3)Ca6In pentagonal bipyramids, edges with three equivalent P(1)Ca4In2 octahedra, edges with three equivalent P(3)Ca6In pentagonal bipyramids,  a faceface with one P(3)Ca6In pentagonal bipyramid, and faces with two equivalent P(2)Ca6In pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 3-79°. In the third P site, P(3) is bonded to one Ca(1), two equivalent Ca(2), three equivalent Ca(3), and one In(1) atom to form distorted PCa6In pentagonal bipyramids that share corners with three equivalent P(1)Ca4In2 octahedra, corners with four equivalent P(2)Ca6In pentagonal bipyramids, edges with two equivalent P(1)Ca4In2 octahedra, edges with three equivalent P(2)Ca6In pentagonal bipyramids, edges with four equivalent P(3)Ca6In pentagonal bipyramids, and  a faceface with one P(2)Ca6In pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 7-63°. is represented by the CIF file [CIF]
data_Ca3InP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.152
_cell_length_b   12.065
_cell_length_c   13.525
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   677.522
_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
  Ca  Ca0  1  0.750  0.846  0.005  1.0
  Ca  Ca1  1  0.750  0.769  0.289  1.0
  Ca  Ca2  1  0.750  0.346  0.495  1.0
  Ca  Ca3  1  0.250  0.654  0.505  1.0
  Ca  Ca4  1  0.250  0.154  0.995  1.0
  Ca  Ca5  1  0.250  0.435  0.898  1.0
  Ca  Ca6  1  0.250  0.935  0.602  1.0
  Ca  Ca7  1  0.750  0.565  0.102  1.0
  Ca  Ca8  1  0.250  0.231  0.711  1.0
  Ca  Ca9  1  0.250  0.731  0.789  1.0
  Ca  Ca10  1  0.750  0.065  0.398  1.0
  Ca  Ca11  1  0.750  0.269  0.211  1.0
  In  In12  1  0.250  0.448  0.300  1.0
  In  In13  1  0.750  0.052  0.800  1.0
  In  In14  1  0.750  0.552  0.700  1.0
  In  In15  1  0.250  0.948  0.200  1.0
  P  P16  1  0.250  0.950  0.867  1.0
  P  P17  1  0.750  0.550  0.367  1.0
  P  P18  1  0.250  0.246  0.372  1.0
  P  P19  1  0.750  0.254  0.872  1.0
  P  P20  1  0.250  0.396  0.114  1.0
  P  P21  1  0.250  0.896  0.386  1.0
  P  P22  1  0.250  0.746  0.128  1.0
  P  P23  1  0.750  0.604  0.886  1.0
  P  P24  1  0.750  0.754  0.628  1.0
  P  P25  1  0.250  0.450  0.633  1.0
  P  P26  1  0.750  0.104  0.614  1.0
  P  P27  1  0.750  0.050  0.133  1.0
[/CIF]
.