The material described by CaZn(GeO3)4 crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms. Zn(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. Ge(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles range from 15-39°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(1) and two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Zn(1) and two equivalent Ge(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ca(1) and two equivalent Ge(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1) and two equivalent Ge(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent Ge(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaZn(GeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.216
_cell_length_b   5.216
_cell_length_c   7.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   87.435
_symmetry_Int_Tables_number   1
_cell_volume   204.785
_cell_formula_units_Z   1
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  0.530  0.470  0.500  1.0
  Zn  Zn1  1  0.976  0.024  0.000  1.0
  Ge  Ge2  1  0.486  0.987  0.239  1.0
  Ge  Ge3  1  0.486  0.987  0.761  1.0
  Ge  Ge4  1  0.013  0.514  0.761  1.0
  Ge  Ge5  1  0.013  0.514  0.239  1.0
  O  O6  1  0.305  0.300  0.261  1.0
  O  O7  1  0.700  0.695  0.261  1.0
  O  O8  1  0.700  0.695  0.739  1.0
  O  O9  1  0.305  0.300  0.739  1.0
  O  O10  1  0.180  0.820  0.189  1.0
  O  O11  1  0.780  0.220  0.289  1.0
  O  O12  1  0.780  0.220  0.711  1.0
  O  O13  1  0.180  0.820  0.811  1.0
  O  O14  1  0.590  0.017  0.000  1.0
  O  O15  1  0.454  0.949  0.500  1.0
  O  O16  1  0.983  0.410  0.000  1.0
  O  O17  1  0.051  0.546  0.500  1.0
[/CIF]
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The material described by CaZn(GeO3)4 crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms. Zn(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. Ge(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles range from 15-39°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(1) and two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Zn(1) and two equivalent Ge(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ca(1) and two equivalent Ge(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1) and two equivalent Ge(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent Ge(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaZn(GeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.216
_cell_length_b   5.216
_cell_length_c   7.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   87.435
_symmetry_Int_Tables_number   1
_cell_volume   204.785
_cell_formula_units_Z   1
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  0.530  0.470  0.500  1.0
  Zn  Zn1  1  0.976  0.024  0.000  1.0
  Ge  Ge2  1  0.486  0.987  0.239  1.0
  Ge  Ge3  1  0.486  0.987  0.761  1.0
  Ge  Ge4  1  0.013  0.514  0.761  1.0
  Ge  Ge5  1  0.013  0.514  0.239  1.0
  O  O6  1  0.305  0.300  0.261  1.0
  O  O7  1  0.700  0.695  0.261  1.0
  O  O8  1  0.700  0.695  0.739  1.0
  O  O9  1  0.305  0.300  0.739  1.0
  O  O10  1  0.180  0.820  0.189  1.0
  O  O11  1  0.780  0.220  0.289  1.0
  O  O12  1  0.780  0.220  0.711  1.0
  O  O13  1  0.180  0.820  0.811  1.0
  O  O14  1  0.590  0.017  0.000  1.0
  O  O15  1  0.454  0.949  0.500  1.0
  O  O16  1  0.983  0.410  0.000  1.0
  O  O17  1  0.051  0.546  0.500  1.0
[/CIF]
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