The compound described by CaYb2(GeO3)4 crystallizes in the orthorhombic Cmme space group. Ca(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CaO6 octahedra that share corners with eight equivalent Ge(1)O4 tetrahedra. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form YbO6 octahedra that share corners with eight equivalent Ge(1)O4 tetrahedra. In the second Yb site, Yb(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ge(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form GeO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Yb(1)O6 octahedra, and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-69°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1) and two equivalent Ge(1) atoms. In the second O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Yb(1) and two equivalent Ge(1) atoms. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one Yb(2), and one Ge(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Yb(1), one Yb(2), and one Ge(1) atom. is represented by the CIF card [CIF]
data_CaYb2(GeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.173
_cell_length_b   10.173
_cell_length_c   5.126
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.041
_symmetry_Int_Tables_number   1
_cell_volume   530.511
_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  0.500  0.000  0.500  1.0
  Ca  Ca1  1  0.000  0.500  0.500  1.0
  Yb  Yb2  1  0.500  0.500  0.500  1.0
  Yb  Yb3  1  0.000  0.000  0.500  1.0
  Yb  Yb4  1  0.250  0.250  0.500  1.0
  Yb  Yb5  1  0.750  0.750  0.500  1.0
  Ge  Ge6  1  0.976  0.249  1.000  1.0
  Ge  Ge7  1  0.024  0.751  0.000  1.0
  Ge  Ge8  1  0.476  0.749  0.000  1.0
  Ge  Ge9  1  0.524  0.251  1.000  1.0
  Ge  Ge10  1  0.251  0.524  0.000  1.0
  Ge  Ge11  1  0.749  0.476  1.000  1.0
  Ge  Ge12  1  0.751  0.024  1.000  1.0
  Ge  Ge13  1  0.249  0.976  0.000  1.0
  O  O14  1  0.323  0.064  0.254  1.0
  O  O15  1  0.675  0.562  0.256  1.0
  O  O16  1  0.825  0.938  0.256  1.0
  O  O17  1  0.177  0.436  0.254  1.0
  O  O18  1  0.677  0.936  0.746  1.0
  O  O19  1  0.325  0.438  0.744  1.0
  O  O20  1  0.175  0.062  0.744  1.0
  O  O21  1  0.823  0.564  0.746  1.0
  O  O22  1  0.436  0.177  0.746  1.0
  O  O23  1  0.938  0.825  0.744  1.0
  O  O24  1  0.562  0.675  0.744  1.0
  O  O25  1  0.064  0.323  0.746  1.0
  O  O26  1  0.564  0.823  0.254  1.0
  O  O27  1  0.062  0.175  0.256  1.0
  O  O28  1  0.438  0.325  0.256  1.0
  O  O29  1  0.936  0.677  0.254  1.0
  O  O30  1  0.873  0.373  0.156  1.0
  O  O31  1  0.126  0.874  0.160  1.0
  O  O32  1  0.374  0.626  0.160  1.0
  O  O33  1  0.627  0.127  0.156  1.0
  O  O34  1  0.127  0.627  0.844  1.0
  O  O35  1  0.874  0.126  0.840  1.0
  O  O36  1  0.626  0.374  0.840  1.0
  O  O37  1  0.373  0.873  0.844  1.0
[/CIF]
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The compound described by CaYb2(GeO3)4 crystallizes in the orthorhombic Cmme space group. Ca(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CaO6 octahedra that share corners with eight equivalent Ge(1)O4 tetrahedra. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form YbO6 octahedra that share corners with eight equivalent Ge(1)O4 tetrahedra. In the second Yb site, Yb(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ge(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form GeO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Yb(1)O6 octahedra, and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-69°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1) and two equivalent Ge(1) atoms. In the second O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Yb(1) and two equivalent Ge(1) atoms. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one Yb(2), and one Ge(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Yb(1), one Yb(2), and one Ge(1) atom. is represented by the CIF card [CIF]
data_CaYb2(GeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.173
_cell_length_b   10.173
_cell_length_c   5.126
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.041
_symmetry_Int_Tables_number   1
_cell_volume   530.511
_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  0.500  0.000  0.500  1.0
  Ca  Ca1  1  0.000  0.500  0.500  1.0
  Yb  Yb2  1  0.500  0.500  0.500  1.0
  Yb  Yb3  1  0.000  0.000  0.500  1.0
  Yb  Yb4  1  0.250  0.250  0.500  1.0
  Yb  Yb5  1  0.750  0.750  0.500  1.0
  Ge  Ge6  1  0.976  0.249  1.000  1.0
  Ge  Ge7  1  0.024  0.751  0.000  1.0
  Ge  Ge8  1  0.476  0.749  0.000  1.0
  Ge  Ge9  1  0.524  0.251  1.000  1.0
  Ge  Ge10  1  0.251  0.524  0.000  1.0
  Ge  Ge11  1  0.749  0.476  1.000  1.0
  Ge  Ge12  1  0.751  0.024  1.000  1.0
  Ge  Ge13  1  0.249  0.976  0.000  1.0
  O  O14  1  0.323  0.064  0.254  1.0
  O  O15  1  0.675  0.562  0.256  1.0
  O  O16  1  0.825  0.938  0.256  1.0
  O  O17  1  0.177  0.436  0.254  1.0
  O  O18  1  0.677  0.936  0.746  1.0
  O  O19  1  0.325  0.438  0.744  1.0
  O  O20  1  0.175  0.062  0.744  1.0
  O  O21  1  0.823  0.564  0.746  1.0
  O  O22  1  0.436  0.177  0.746  1.0
  O  O23  1  0.938  0.825  0.744  1.0
  O  O24  1  0.562  0.675  0.744  1.0
  O  O25  1  0.064  0.323  0.746  1.0
  O  O26  1  0.564  0.823  0.254  1.0
  O  O27  1  0.062  0.175  0.256  1.0
  O  O28  1  0.438  0.325  0.256  1.0
  O  O29  1  0.936  0.677  0.254  1.0
  O  O30  1  0.873  0.373  0.156  1.0
  O  O31  1  0.126  0.874  0.160  1.0
  O  O32  1  0.374  0.626  0.160  1.0
  O  O33  1  0.627  0.127  0.156  1.0
  O  O34  1  0.127  0.627  0.844  1.0
  O  O35  1  0.874  0.126  0.840  1.0
  O  O36  1  0.626  0.374  0.840  1.0
  O  O37  1  0.373  0.873  0.844  1.0
[/CIF]
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