The structure described by CaMgSiO4 is Ilmenite-derived structured and crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form distorted CaO6 octahedra that share corners with four equivalent Ca(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-64°. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with four equivalent Ca(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-64°. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Ca(1)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-65°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one Mg(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), two equivalent Mg(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), two equivalent Mg(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMgSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.869
_cell_length_b   6.431
_cell_length_c   11.224
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.445
_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  0.021  0.750  0.277  1.0
  Ca  Ca1  1  0.979  0.250  0.723  1.0
  Ca  Ca2  1  0.479  0.750  0.777  1.0
  Ca  Ca3  1  0.521  0.250  0.223  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.000  0.500  0.000  1.0
  Mg  Mg6  1  0.500  0.000  0.500  1.0
  Mg  Mg7  1  0.500  0.500  0.500  1.0
  Si  Si8  1  0.089  0.250  0.419  1.0
  Si  Si9  1  0.411  0.250  0.919  1.0
  Si  Si10  1  0.911  0.750  0.581  1.0
  Si  Si11  1  0.589  0.750  0.081  1.0
  O  O12  1  0.228  0.455  0.353  1.0
  O  O13  1  0.728  0.545  0.147  1.0
  O  O14  1  0.772  0.955  0.647  1.0
  O  O15  1  0.272  0.045  0.853  1.0
  O  O16  1  0.772  0.545  0.647  1.0
  O  O17  1  0.272  0.455  0.853  1.0
  O  O18  1  0.228  0.045  0.353  1.0
  O  O19  1  0.728  0.955  0.147  1.0
  O  O20  1  0.748  0.750  0.949  1.0
  O  O21  1  0.248  0.250  0.551  1.0
  O  O22  1  0.252  0.250  0.051  1.0
  O  O23  1  0.752  0.750  0.449  1.0
  O  O24  1  0.254  0.750  0.078  1.0
  O  O25  1  0.754  0.250  0.422  1.0
  O  O26  1  0.746  0.250  0.922  1.0
  O  O27  1  0.246  0.750  0.578  1.0
[/CIF]
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The structure described by CaMgSiO4 is Ilmenite-derived structured and crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form distorted CaO6 octahedra that share corners with four equivalent Ca(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-64°. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with four equivalent Ca(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-64°. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Ca(1)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-65°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one Mg(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), two equivalent Mg(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), two equivalent Mg(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMgSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.869
_cell_length_b   6.431
_cell_length_c   11.224
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.445
_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  0.021  0.750  0.277  1.0
  Ca  Ca1  1  0.979  0.250  0.723  1.0
  Ca  Ca2  1  0.479  0.750  0.777  1.0
  Ca  Ca3  1  0.521  0.250  0.223  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.000  0.500  0.000  1.0
  Mg  Mg6  1  0.500  0.000  0.500  1.0
  Mg  Mg7  1  0.500  0.500  0.500  1.0
  Si  Si8  1  0.089  0.250  0.419  1.0
  Si  Si9  1  0.411  0.250  0.919  1.0
  Si  Si10  1  0.911  0.750  0.581  1.0
  Si  Si11  1  0.589  0.750  0.081  1.0
  O  O12  1  0.228  0.455  0.353  1.0
  O  O13  1  0.728  0.545  0.147  1.0
  O  O14  1  0.772  0.955  0.647  1.0
  O  O15  1  0.272  0.045  0.853  1.0
  O  O16  1  0.772  0.545  0.647  1.0
  O  O17  1  0.272  0.455  0.853  1.0
  O  O18  1  0.228  0.045  0.353  1.0
  O  O19  1  0.728  0.955  0.147  1.0
  O  O20  1  0.748  0.750  0.949  1.0
  O  O21  1  0.248  0.250  0.551  1.0
  O  O22  1  0.252  0.250  0.051  1.0
  O  O23  1  0.752  0.750  0.449  1.0
  O  O24  1  0.254  0.750  0.078  1.0
  O  O25  1  0.754  0.250  0.422  1.0
  O  O26  1  0.746  0.250  0.922  1.0
  O  O27  1  0.246  0.750  0.578  1.0
[/CIF]
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