The material described by CaGe(PO4)2 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. Ge(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GeO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Ge(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Ge(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ge(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ge(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ca(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaGe(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.380
_cell_length_b   8.380
_cell_length_c   7.840
_cell_angle_alpha   64.561
_cell_angle_beta   64.561
_cell_angle_gamma   35.946
_symmetry_Int_Tables_number   1
_cell_volume   288.339
_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  0.784  0.216  0.750  1.0
  Ca  Ca1  1  0.216  0.784  0.250  1.0
  Ge  Ge2  1  0.000  0.500  0.500  1.0
  Ge  Ge3  1  0.500  0.000  0.000  1.0
  P  P4  1  0.605  0.112  0.253  1.0
  P  P5  1  0.888  0.395  0.247  1.0
  P  P6  1  0.395  0.888  0.747  1.0
  P  P7  1  0.112  0.605  0.753  1.0
  O  O8  1  0.839  0.856  0.382  1.0
  O  O9  1  0.144  0.161  0.118  1.0
  O  O10  1  0.161  0.144  0.618  1.0
  O  O11  1  0.856  0.839  0.882  1.0
  O  O12  1  0.345  0.357  0.372  1.0
  O  O13  1  0.643  0.655  0.128  1.0
  O  O14  1  0.655  0.643  0.628  1.0
  O  O15  1  0.357  0.345  0.872  1.0
  O  O16  1  0.519  0.029  0.209  1.0
  O  O17  1  0.971  0.481  0.291  1.0
  O  O18  1  0.481  0.971  0.791  1.0
  O  O19  1  0.029  0.519  0.709  1.0
  O  O20  1  0.716  0.196  0.087  1.0
  O  O21  1  0.804  0.284  0.413  1.0
  O  O22  1  0.284  0.804  0.913  1.0
  O  O23  1  0.196  0.716  0.587  1.0
[/CIF]
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The material described by CaGe(PO4)2 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. Ge(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GeO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Ge(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Ge(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ge(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ge(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ca(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaGe(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.380
_cell_length_b   8.380
_cell_length_c   7.840
_cell_angle_alpha   64.561
_cell_angle_beta   64.561
_cell_angle_gamma   35.946
_symmetry_Int_Tables_number   1
_cell_volume   288.339
_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  0.784  0.216  0.750  1.0
  Ca  Ca1  1  0.216  0.784  0.250  1.0
  Ge  Ge2  1  0.000  0.500  0.500  1.0
  Ge  Ge3  1  0.500  0.000  0.000  1.0
  P  P4  1  0.605  0.112  0.253  1.0
  P  P5  1  0.888  0.395  0.247  1.0
  P  P6  1  0.395  0.888  0.747  1.0
  P  P7  1  0.112  0.605  0.753  1.0
  O  O8  1  0.839  0.856  0.382  1.0
  O  O9  1  0.144  0.161  0.118  1.0
  O  O10  1  0.161  0.144  0.618  1.0
  O  O11  1  0.856  0.839  0.882  1.0
  O  O12  1  0.345  0.357  0.372  1.0
  O  O13  1  0.643  0.655  0.128  1.0
  O  O14  1  0.655  0.643  0.628  1.0
  O  O15  1  0.357  0.345  0.872  1.0
  O  O16  1  0.519  0.029  0.209  1.0
  O  O17  1  0.971  0.481  0.291  1.0
  O  O18  1  0.481  0.971  0.791  1.0
  O  O19  1  0.029  0.519  0.709  1.0
  O  O20  1  0.716  0.196  0.087  1.0
  O  O21  1  0.804  0.284  0.413  1.0
  O  O22  1  0.284  0.804  0.913  1.0
  O  O23  1  0.196  0.716  0.587  1.0
[/CIF]
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