The material structure described by Ca3ZnGe5O14 is Esseneite-like structured and crystallizes in the monoclinic C2 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), two equivalent O(5), and two equivalent O(7) atoms. Zn(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form ZnO6 octahedra that share corners with four equivalent Ge(1)O4 tetrahedra and corners with two equivalent Ge(3)O4 trigonal pyramids. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form distorted GeO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with two equivalent Ge(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 66-68°. In the second Ge site, Ge(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form corner-sharing GeO4 tetrahedra. In the third Ge site, Ge(3) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form distorted GeO4 trigonal pyramids that share corners with two equivalent Zn(1)O6 octahedra and corners with two equivalent Ge(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(2), one Zn(1), and one Ge(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), one Ge(1), and one Ge(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), one Ge(2), and one Ge(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(2), one Zn(1), and one Ge(3) atom. In the fifth O site, O(5) is bonded to one Ca(1), two equivalent Ca(2), and one Ge(2) atom to form distorted corner-sharing OCa3Ge tetrahedra. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Zn(1), and one Ge(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Ca(2), one Ge(1), and one Ge(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3ZnGe5O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.126
_cell_length_b   8.126
_cell_length_c   5.144
_cell_angle_alpha   89.647
_cell_angle_beta   89.647
_cell_angle_gamma   59.481
_symmetry_Int_Tables_number   1
_cell_volume   292.599
_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  0.732  0.268  0.000  1.0
  Ca  Ca1  1  0.902  0.686  0.000  1.0
  Ca  Ca2  1  0.314  0.098  1.000  1.0
  Zn  Zn3  1  0.317  0.683  0.000  1.0
  Ge  Ge4  1  0.554  0.688  0.506  1.0
  Ge  Ge5  1  0.312  0.446  0.494  1.0
  Ge  Ge6  1  0.648  0.020  0.522  1.0
  Ge  Ge7  1  0.980  0.352  0.478  1.0
  Ge  Ge8  1  0.078  0.922  0.500  1.0
  O  O9  1  0.393  0.835  0.268  1.0
  O  O10  1  0.165  0.607  0.732  1.0
  O  O11  1  0.777  0.546  0.317  1.0
  O  O12  1  0.454  0.223  0.683  1.0
  O  O13  1  0.850  0.006  0.683  1.0
  O  O14  1  0.994  0.150  0.317  1.0
  O  O15  1  0.081  0.773  0.253  1.0
  O  O16  1  0.227  0.919  0.747  1.0
  O  O17  1  0.647  0.016  0.187  1.0
  O  O18  1  0.984  0.353  0.813  1.0
  O  O19  1  0.550  0.537  0.745  1.0
  O  O20  1  0.463  0.450  0.255  1.0
  O  O21  1  0.633  0.832  0.689  1.0
  O  O22  1  0.168  0.367  0.311  1.0
[/CIF]
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The material structure described by Ca3ZnGe5O14 is Esseneite-like structured and crystallizes in the monoclinic C2 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), two equivalent O(5), and two equivalent O(7) atoms. Zn(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form ZnO6 octahedra that share corners with four equivalent Ge(1)O4 tetrahedra and corners with two equivalent Ge(3)O4 trigonal pyramids. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form distorted GeO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with two equivalent Ge(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 66-68°. In the second Ge site, Ge(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form corner-sharing GeO4 tetrahedra. In the third Ge site, Ge(3) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form distorted GeO4 trigonal pyramids that share corners with two equivalent Zn(1)O6 octahedra and corners with two equivalent Ge(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(2), one Zn(1), and one Ge(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), one Ge(1), and one Ge(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), one Ge(2), and one Ge(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(2), one Zn(1), and one Ge(3) atom. In the fifth O site, O(5) is bonded to one Ca(1), two equivalent Ca(2), and one Ge(2) atom to form distorted corner-sharing OCa3Ge tetrahedra. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Zn(1), and one Ge(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Ca(2), one Ge(1), and one Ge(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3ZnGe5O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.126
_cell_length_b   8.126
_cell_length_c   5.144
_cell_angle_alpha   89.647
_cell_angle_beta   89.647
_cell_angle_gamma   59.481
_symmetry_Int_Tables_number   1
_cell_volume   292.599
_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  0.732  0.268  0.000  1.0
  Ca  Ca1  1  0.902  0.686  0.000  1.0
  Ca  Ca2  1  0.314  0.098  1.000  1.0
  Zn  Zn3  1  0.317  0.683  0.000  1.0
  Ge  Ge4  1  0.554  0.688  0.506  1.0
  Ge  Ge5  1  0.312  0.446  0.494  1.0
  Ge  Ge6  1  0.648  0.020  0.522  1.0
  Ge  Ge7  1  0.980  0.352  0.478  1.0
  Ge  Ge8  1  0.078  0.922  0.500  1.0
  O  O9  1  0.393  0.835  0.268  1.0
  O  O10  1  0.165  0.607  0.732  1.0
  O  O11  1  0.777  0.546  0.317  1.0
  O  O12  1  0.454  0.223  0.683  1.0
  O  O13  1  0.850  0.006  0.683  1.0
  O  O14  1  0.994  0.150  0.317  1.0
  O  O15  1  0.081  0.773  0.253  1.0
  O  O16  1  0.227  0.919  0.747  1.0
  O  O17  1  0.647  0.016  0.187  1.0
  O  O18  1  0.984  0.353  0.813  1.0
  O  O19  1  0.550  0.537  0.745  1.0
  O  O20  1  0.463  0.450  0.255  1.0
  O  O21  1  0.633  0.832  0.689  1.0
  O  O22  1  0.168  0.367  0.311  1.0
[/CIF]
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