The material described by Ca3(GeAs2)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent Ge(2), one As(1), one As(2), two equivalent As(3), and two equivalent As(4) atoms to form distorted CaGe2As6 octahedra that share corners with two equivalent Ca(3)As6 octahedra, corners with two equivalent Ca(2)GeAs6 octahedra, corners with two equivalent As(2)Ca4Ge2 octahedra, corners with two equivalent As(3)Ca5Ge octahedra, corners with two equivalent As(4)Ca5Ge octahedra,  an edgeedge with one Ca(1)Ge2As6 octahedra, edges with two equivalent Ca(2)GeAs6 octahedra, edges with three equivalent Ca(3)As6 octahedra,  a faceface with one Ca(1)Ge2As6 octahedra, and faces with two equivalent Ca(2)GeAs6 octahedra. The corner-sharing octahedral tilt angles range from 1-122°. In the second Ca site, Ca(2) is bonded to one Ge(2), one As(1), one As(2), two equivalent As(3), and two equivalent As(4) atoms to form distorted CaGeAs6 octahedra that share  a cornercorner with one As(2)Ca4Ge2 octahedra,  a cornercorner with one As(3)Ca5Ge octahedra,  a cornercorner with one As(4)Ca5Ge octahedra, corners with two equivalent Ca(3)As6 octahedra, corners with two equivalent Ca(1)Ge2As6 octahedra, edges with two equivalent Ca(1)Ge2As6 octahedra, edges with two equivalent Ca(2)GeAs6 octahedra, edges with three equivalent Ca(3)As6 octahedra, and faces with two equivalent Ca(1)Ge2As6 octahedra. The corner-sharing octahedral tilt angles range from 1-122°. In the third Ca site, Ca(3) is bonded to one As(3), one As(4), two equivalent As(1), and two equivalent As(2) atoms to form distorted CaAs6 octahedra that share corners with two equivalent Ca(1)Ge2As6 octahedra, corners with two equivalent Ca(2)GeAs6 octahedra, edges with two equivalent Ca(3)As6 octahedra, edges with three equivalent Ca(1)Ge2As6 octahedra, and edges with three equivalent Ca(2)GeAs6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 4-coordinate geometry to one Ge(2), one As(2), and two equivalent As(1) atoms. In the second Ge site, Ge(2) is bonded in a 7-coordinate geometry to one Ca(2), two equivalent Ca(1), one Ge(1), one As(2), one As(3), and one As(4) atom. There are four inequivalent As sites. In the first As site, As(4) is bonded to one Ca(3), two equivalent Ca(1), two equivalent Ca(2), and one Ge(2) atom to form AsCa5Ge octahedra that share  a cornercorner with one Ca(2)GeAs6 octahedra, corners with two equivalent Ca(1)Ge2As6 octahedra, corners with two equivalent As(1)Ca4Ge2 octahedra, corners with two equivalent As(3)Ca5Ge octahedra, corners with three equivalent As(2)Ca4Ge2 octahedra, edges with two equivalent As(1)Ca4Ge2 octahedra, edges with two equivalent As(2)Ca4Ge2 octahedra, edges with two equivalent As(4)Ca5Ge octahedra, and edges with four equivalent As(3)Ca5Ge octahedra. The corner-sharing octahedral tilt angles range from 2-122°. In the second As site, As(1) is bonded to one Ca(1), one Ca(2), two equivalent Ca(3), and two equivalent Ge(1) atoms to form AsCa4Ge2 octahedra that share corners with two equivalent As(2)Ca4Ge2 octahedra, corners with two equivalent As(4)Ca5Ge octahedra, corners with four equivalent As(3)Ca5Ge octahedra,  an edgeedge with one As(3)Ca5Ge octahedra, edges with two equivalent As(1)Ca4Ge2 octahedra, edges with two equivalent As(4)Ca5Ge octahedra, and edges with three equivalent As(2)Ca4Ge2 octahedra. The corner-sharing octahedral tilt angles range from 5-90°. In the third As site, As(2) is bonded to one Ca(1), one Ca(2), two equivalent Ca(3), one Ge(1), and one Ge(2) atom to form AsCa4Ge2 octahedra that share  a cornercorner with one Ca(2)GeAs6 octahedra,  a cornercorner with one As(3)Ca5Ge octahedra, corners with two equivalent Ca(1)Ge2As6 octahedra, corners with two equivalent As(1)Ca4Ge2 octahedra, corners with two equivalent As(2)Ca4Ge2 octahedra, corners with three equivalent As(4)Ca5Ge octahedra, edges with two equivalent As(4)Ca5Ge octahedra, edges with three equivalent As(1)Ca4Ge2 octahedra, and edges with three equivalent As(3)Ca5Ge octahedra. The corner-sharing octahedral tilt angles range from 4-121°. In the fourth As site, As(3) is bonded to one Ca(3), two equivalent Ca(1), two equivalent Ca(2), and one Ge(2) atom to form AsCa5Ge octahedra that share  a cornercorner with one Ca(2)GeAs6 octahedra,  a cornercorner with one As(2)Ca4Ge2 octahedra, corners with two equivalent Ca(1)Ge2As6 octahedra, corners with two equivalent As(4)Ca5Ge octahedra, corners with four equivalent As(1)Ca4Ge2 octahedra,  an edgeedge with one As(1)Ca4Ge2 octahedra, edges with two equivalent As(3)Ca5Ge octahedra, edges with three equivalent As(2)Ca4Ge2 octahedra, and edges with four equivalent As(4)Ca5Ge octahedra. The corner-sharing octahedral tilt angles range from 2-122°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3(GeAs2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.950
_cell_length_b   7.275
_cell_length_c   7.321
_cell_angle_alpha   68.358
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   888.694
_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  0.058  0.012  0.745  1.0
  Ca  Ca1  1  0.558  0.488  0.255  1.0
  Ca  Ca2  1  0.942  0.988  0.255  1.0
  Ca  Ca3  1  0.442  0.512  0.745  1.0
  Ca  Ca4  1  0.062  0.498  0.263  1.0
  Ca  Ca5  1  0.562  0.002  0.737  1.0
  Ca  Ca6  1  0.938  0.502  0.737  1.0
  Ca  Ca7  1  0.438  0.998  0.263  1.0
  Ca  Ca8  1  0.183  0.513  0.783  1.0
  Ca  Ca9  1  0.683  0.987  0.217  1.0
  Ca  Ca10  1  0.817  0.487  0.217  1.0
  Ca  Ca11  1  0.317  0.013  0.783  1.0
  Ge  Ge12  1  0.259  0.580  0.319  1.0
  Ge  Ge13  1  0.759  0.920  0.681  1.0
  Ge  Ge14  1  0.741  0.420  0.681  1.0
  Ge  Ge15  1  0.241  0.080  0.319  1.0
  Ge  Ge16  1  0.627  0.531  0.790  1.0
  Ge  Ge17  1  0.127  0.969  0.210  1.0
  Ge  Ge18  1  0.373  0.469  0.210  1.0
  Ge  Ge19  1  0.873  0.031  0.790  1.0
  As  As20  1  0.196  0.269  0.515  1.0
  As  As21  1  0.696  0.231  0.485  1.0
  As  As22  1  0.804  0.731  0.485  1.0
  As  As23  1  0.304  0.769  0.515  1.0
  As  As24  1  0.314  0.276  0.031  1.0
  As  As25  1  0.814  0.224  0.969  1.0
  As  As26  1  0.686  0.724  0.969  1.0
  As  As27  1  0.186  0.776  0.031  1.0
  As  As28  1  0.059  0.255  0.003  1.0
  As  As29  1  0.559  0.245  0.997  1.0
  As  As30  1  0.941  0.745  0.997  1.0
  As  As31  1  0.441  0.755  0.003  1.0
  As  As32  1  0.066  0.753  0.506  1.0
  As  As33  1  0.566  0.747  0.494  1.0
  As  As34  1  0.934  0.247  0.494  1.0
  As  As35  1  0.434  0.253  0.506  1.0
[/CIF]
.
The material described by Ca3(GeAs2)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent Ge(2), one As(1), one As(2), two equivalent As(3), and two equivalent As(4) atoms to form distorted CaGe2As6 octahedra that share corners with two equivalent Ca(3)As6 octahedra, corners with two equivalent Ca(2)GeAs6 octahedra, corners with two equivalent As(2)Ca4Ge2 octahedra, corners with two equivalent As(3)Ca5Ge octahedra, corners with two equivalent As(4)Ca5Ge octahedra,  an edgeedge with one Ca(1)Ge2As6 octahedra, edges with two equivalent Ca(2)GeAs6 octahedra, edges with three equivalent Ca(3)As6 octahedra,  a faceface with one Ca(1)Ge2As6 octahedra, and faces with two equivalent Ca(2)GeAs6 octahedra. The corner-sharing octahedral tilt angles range from 1-122°. In the second Ca site, Ca(2) is bonded to one Ge(2), one As(1), one As(2), two equivalent As(3), and two equivalent As(4) atoms to form distorted CaGeAs6 octahedra that share  a cornercorner with one As(2)Ca4Ge2 octahedra,  a cornercorner with one As(3)Ca5Ge octahedra,  a cornercorner with one As(4)Ca5Ge octahedra, corners with two equivalent Ca(3)As6 octahedra, corners with two equivalent Ca(1)Ge2As6 octahedra, edges with two equivalent Ca(1)Ge2As6 octahedra, edges with two equivalent Ca(2)GeAs6 octahedra, edges with three equivalent Ca(3)As6 octahedra, and faces with two equivalent Ca(1)Ge2As6 octahedra. The corner-sharing octahedral tilt angles range from 1-122°. In the third Ca site, Ca(3) is bonded to one As(3), one As(4), two equivalent As(1), and two equivalent As(2) atoms to form distorted CaAs6 octahedra that share corners with two equivalent Ca(1)Ge2As6 octahedra, corners with two equivalent Ca(2)GeAs6 octahedra, edges with two equivalent Ca(3)As6 octahedra, edges with three equivalent Ca(1)Ge2As6 octahedra, and edges with three equivalent Ca(2)GeAs6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 4-coordinate geometry to one Ge(2), one As(2), and two equivalent As(1) atoms. In the second Ge site, Ge(2) is bonded in a 7-coordinate geometry to one Ca(2), two equivalent Ca(1), one Ge(1), one As(2), one As(3), and one As(4) atom. There are four inequivalent As sites. In the first As site, As(4) is bonded to one Ca(3), two equivalent Ca(1), two equivalent Ca(2), and one Ge(2) atom to form AsCa5Ge octahedra that share  a cornercorner with one Ca(2)GeAs6 octahedra, corners with two equivalent Ca(1)Ge2As6 octahedra, corners with two equivalent As(1)Ca4Ge2 octahedra, corners with two equivalent As(3)Ca5Ge octahedra, corners with three equivalent As(2)Ca4Ge2 octahedra, edges with two equivalent As(1)Ca4Ge2 octahedra, edges with two equivalent As(2)Ca4Ge2 octahedra, edges with two equivalent As(4)Ca5Ge octahedra, and edges with four equivalent As(3)Ca5Ge octahedra. The corner-sharing octahedral tilt angles range from 2-122°. In the second As site, As(1) is bonded to one Ca(1), one Ca(2), two equivalent Ca(3), and two equivalent Ge(1) atoms to form AsCa4Ge2 octahedra that share corners with two equivalent As(2)Ca4Ge2 octahedra, corners with two equivalent As(4)Ca5Ge octahedra, corners with four equivalent As(3)Ca5Ge octahedra,  an edgeedge with one As(3)Ca5Ge octahedra, edges with two equivalent As(1)Ca4Ge2 octahedra, edges with two equivalent As(4)Ca5Ge octahedra, and edges with three equivalent As(2)Ca4Ge2 octahedra. The corner-sharing octahedral tilt angles range from 5-90°. In the third As site, As(2) is bonded to one Ca(1), one Ca(2), two equivalent Ca(3), one Ge(1), and one Ge(2) atom to form AsCa4Ge2 octahedra that share  a cornercorner with one Ca(2)GeAs6 octahedra,  a cornercorner with one As(3)Ca5Ge octahedra, corners with two equivalent Ca(1)Ge2As6 octahedra, corners with two equivalent As(1)Ca4Ge2 octahedra, corners with two equivalent As(2)Ca4Ge2 octahedra, corners with three equivalent As(4)Ca5Ge octahedra, edges with two equivalent As(4)Ca5Ge octahedra, edges with three equivalent As(1)Ca4Ge2 octahedra, and edges with three equivalent As(3)Ca5Ge octahedra. The corner-sharing octahedral tilt angles range from 4-121°. In the fourth As site, As(3) is bonded to one Ca(3), two equivalent Ca(1), two equivalent Ca(2), and one Ge(2) atom to form AsCa5Ge octahedra that share  a cornercorner with one Ca(2)GeAs6 octahedra,  a cornercorner with one As(2)Ca4Ge2 octahedra, corners with two equivalent Ca(1)Ge2As6 octahedra, corners with two equivalent As(4)Ca5Ge octahedra, corners with four equivalent As(1)Ca4Ge2 octahedra,  an edgeedge with one As(1)Ca4Ge2 octahedra, edges with two equivalent As(3)Ca5Ge octahedra, edges with three equivalent As(2)Ca4Ge2 octahedra, and edges with four equivalent As(4)Ca5Ge octahedra. The corner-sharing octahedral tilt angles range from 2-122°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3(GeAs2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.950
_cell_length_b   7.275
_cell_length_c   7.321
_cell_angle_alpha   68.358
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   888.694
_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  0.058  0.012  0.745  1.0
  Ca  Ca1  1  0.558  0.488  0.255  1.0
  Ca  Ca2  1  0.942  0.988  0.255  1.0
  Ca  Ca3  1  0.442  0.512  0.745  1.0
  Ca  Ca4  1  0.062  0.498  0.263  1.0
  Ca  Ca5  1  0.562  0.002  0.737  1.0
  Ca  Ca6  1  0.938  0.502  0.737  1.0
  Ca  Ca7  1  0.438  0.998  0.263  1.0
  Ca  Ca8  1  0.183  0.513  0.783  1.0
  Ca  Ca9  1  0.683  0.987  0.217  1.0
  Ca  Ca10  1  0.817  0.487  0.217  1.0
  Ca  Ca11  1  0.317  0.013  0.783  1.0
  Ge  Ge12  1  0.259  0.580  0.319  1.0
  Ge  Ge13  1  0.759  0.920  0.681  1.0
  Ge  Ge14  1  0.741  0.420  0.681  1.0
  Ge  Ge15  1  0.241  0.080  0.319  1.0
  Ge  Ge16  1  0.627  0.531  0.790  1.0
  Ge  Ge17  1  0.127  0.969  0.210  1.0
  Ge  Ge18  1  0.373  0.469  0.210  1.0
  Ge  Ge19  1  0.873  0.031  0.790  1.0
  As  As20  1  0.196  0.269  0.515  1.0
  As  As21  1  0.696  0.231  0.485  1.0
  As  As22  1  0.804  0.731  0.485  1.0
  As  As23  1  0.304  0.769  0.515  1.0
  As  As24  1  0.314  0.276  0.031  1.0
  As  As25  1  0.814  0.224  0.969  1.0
  As  As26  1  0.686  0.724  0.969  1.0
  As  As27  1  0.186  0.776  0.031  1.0
  As  As28  1  0.059  0.255  0.003  1.0
  As  As29  1  0.559  0.245  0.997  1.0
  As  As30  1  0.941  0.745  0.997  1.0
  As  As31  1  0.441  0.755  0.003  1.0
  As  As32  1  0.066  0.753  0.506  1.0
  As  As33  1  0.566  0.747  0.494  1.0
  As  As34  1  0.934  0.247  0.494  1.0
  As  As35  1  0.434  0.253  0.506  1.0
[/CIF]
.