The structure described by CaCuSn crystallizes in the orthorhombic Imm2 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to one Cu(2), two equivalent Cu(3), three equivalent Cu(1), one Sn(2), two equivalent Sn(1), and three equivalent Sn(3) atoms. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to one Cu(3), two equivalent Cu(2), three equivalent Cu(1), one Sn(1), two equivalent Sn(2), and three equivalent Sn(3) atoms. In the third Ca site, Ca(3) is bonded in a 12-coordinate geometry to two equivalent Cu(3), four equivalent Cu(2), two equivalent Sn(1), and four equivalent Sn(2) atoms. In the fourth Ca site, Ca(4) is bonded in a 12-coordinate geometry to two equivalent Cu(2), four equivalent Cu(3), two equivalent Sn(2), and four equivalent Sn(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), one Sn(2), and three equivalent Sn(3) atoms. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(4), two equivalent Ca(2), two equivalent Ca(3), one Cu(2), one Sn(2), and two equivalent Sn(1) atoms. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to one Ca(2), one Ca(3), two equivalent Ca(1), two equivalent Ca(4), one Sn(1), one Sn(3), and two equivalent Sn(2) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to one Ca(2), one Ca(3), two equivalent Ca(1), two equivalent Ca(4), one Cu(3), two equivalent Cu(2), and one Sn(1) atom. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(4), two equivalent Ca(2), two equivalent Ca(3), one Cu(1), one Cu(2), and two equivalent Cu(3) atoms. In the third Sn site, Sn(3) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), one Cu(3), and three equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_CaCuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.957
_cell_length_b   11.957
_cell_length_c   11.957
_cell_angle_alpha   157.922
_cell_angle_beta   141.496
_cell_angle_gamma   44.827
_symmetry_Int_Tables_number   1
_cell_volume   399.081
_cell_formula_units_Z   6
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  0.758  0.835  0.923  1.0
  Ca  Ca1  1  0.673  0.669  0.003  1.0
  Ca  Ca2  1  0.422  0.500  0.922  1.0
  Ca  Ca3  1  0.007  0.000  0.007  1.0
  Ca  Ca4  1  0.088  0.165  0.923  1.0
  Ca  Ca5  1  0.334  0.331  0.003  1.0
  Cu  Cu6  1  0.066  0.769  0.297  1.0
  Cu  Cu7  1  0.556  0.928  0.627  1.0
  Cu  Cu8  1  0.527  0.231  0.297  1.0
  Cu  Cu9  1  0.233  0.604  0.629  1.0
  Cu  Cu10  1  0.699  0.072  0.627  1.0
  Cu  Cu11  1  0.025  0.396  0.629  1.0
  Sn  Sn12  1  0.731  0.432  0.298  1.0
  Sn  Sn13  1  0.201  0.900  0.300  1.0
  Sn  Sn14  1  0.892  0.267  0.625  1.0
  Sn  Sn15  1  0.359  0.733  0.625  1.0
  Sn  Sn16  1  0.866  0.568  0.298  1.0
  Sn  Sn17  1  0.400  0.100  0.300  1.0
[/CIF]
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The structure described by CaCuSn crystallizes in the orthorhombic Imm2 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to one Cu(2), two equivalent Cu(3), three equivalent Cu(1), one Sn(2), two equivalent Sn(1), and three equivalent Sn(3) atoms. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to one Cu(3), two equivalent Cu(2), three equivalent Cu(1), one Sn(1), two equivalent Sn(2), and three equivalent Sn(3) atoms. In the third Ca site, Ca(3) is bonded in a 12-coordinate geometry to two equivalent Cu(3), four equivalent Cu(2), two equivalent Sn(1), and four equivalent Sn(2) atoms. In the fourth Ca site, Ca(4) is bonded in a 12-coordinate geometry to two equivalent Cu(2), four equivalent Cu(3), two equivalent Sn(2), and four equivalent Sn(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), one Sn(2), and three equivalent Sn(3) atoms. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(4), two equivalent Ca(2), two equivalent Ca(3), one Cu(2), one Sn(2), and two equivalent Sn(1) atoms. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to one Ca(2), one Ca(3), two equivalent Ca(1), two equivalent Ca(4), one Sn(1), one Sn(3), and two equivalent Sn(2) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to one Ca(2), one Ca(3), two equivalent Ca(1), two equivalent Ca(4), one Cu(3), two equivalent Cu(2), and one Sn(1) atom. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(4), two equivalent Ca(2), two equivalent Ca(3), one Cu(1), one Cu(2), and two equivalent Cu(3) atoms. In the third Sn site, Sn(3) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), one Cu(3), and three equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_CaCuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.957
_cell_length_b   11.957
_cell_length_c   11.957
_cell_angle_alpha   157.922
_cell_angle_beta   141.496
_cell_angle_gamma   44.827
_symmetry_Int_Tables_number   1
_cell_volume   399.081
_cell_formula_units_Z   6
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  0.758  0.835  0.923  1.0
  Ca  Ca1  1  0.673  0.669  0.003  1.0
  Ca  Ca2  1  0.422  0.500  0.922  1.0
  Ca  Ca3  1  0.007  0.000  0.007  1.0
  Ca  Ca4  1  0.088  0.165  0.923  1.0
  Ca  Ca5  1  0.334  0.331  0.003  1.0
  Cu  Cu6  1  0.066  0.769  0.297  1.0
  Cu  Cu7  1  0.556  0.928  0.627  1.0
  Cu  Cu8  1  0.527  0.231  0.297  1.0
  Cu  Cu9  1  0.233  0.604  0.629  1.0
  Cu  Cu10  1  0.699  0.072  0.627  1.0
  Cu  Cu11  1  0.025  0.396  0.629  1.0
  Sn  Sn12  1  0.731  0.432  0.298  1.0
  Sn  Sn13  1  0.201  0.900  0.300  1.0
  Sn  Sn14  1  0.892  0.267  0.625  1.0
  Sn  Sn15  1  0.359  0.733  0.625  1.0
  Sn  Sn16  1  0.866  0.568  0.298  1.0
  Sn  Sn17  1  0.400  0.100  0.300  1.0
[/CIF]
.