The structure described by CaCoSi2O7 crystallizes in the orthorhombic Cmm2 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(4), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra and corners with two equivalent Si(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(3), one O(6), and two equivalent O(1) atoms to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra and corners with two equivalent Co(1)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(4), one O(5), and two equivalent O(2) atoms to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra and corners with two equivalent Co(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Co(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ca(1), one Co(1), and one Si(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ca(1) and one Si(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to two equivalent Ca(1) and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_CaCoSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.944
_cell_length_b   7.944
_cell_length_c   5.194
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.279
_symmetry_Int_Tables_number   1
_cell_volume   327.770
_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  0.839  0.161  0.522  1.0
  Ca  Ca1  1  0.161  0.839  0.522  1.0
  Co  Co2  1  0.500  0.000  0.995  1.0
  Co  Co3  1  0.000  0.500  0.995  1.0
  Si  Si4  1  0.136  0.136  0.051  1.0
  Si  Si5  1  0.358  0.642  0.948  1.0
  Si  Si6  1  0.642  0.358  0.948  1.0
  Si  Si7  1  0.864  0.864  0.051  1.0
  O  O8  1  0.317  0.079  0.171  1.0
  O  O9  1  0.683  0.921  0.171  1.0
  O  O10  1  0.591  0.178  0.805  1.0
  O  O11  1  0.409  0.822  0.805  1.0
  O  O12  1  0.079  0.317  0.171  1.0
  O  O13  1  0.178  0.591  0.805  1.0
  O  O14  1  0.822  0.409  0.805  1.0
  O  O15  1  0.921  0.683  0.171  1.0
  O  O16  1  0.114  0.114  0.742  1.0
  O  O17  1  0.318  0.682  0.246  1.0
  O  O18  1  0.500  0.500  0.894  1.0
  O  O19  1  0.000  0.000  0.195  1.0
  O  O20  1  0.682  0.318  0.246  1.0
  O  O21  1  0.886  0.886  0.742  1.0
[/CIF]
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The structure described by CaCoSi2O7 crystallizes in the orthorhombic Cmm2 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(4), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra and corners with two equivalent Si(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(3), one O(6), and two equivalent O(1) atoms to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra and corners with two equivalent Co(1)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(4), one O(5), and two equivalent O(2) atoms to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra and corners with two equivalent Co(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Co(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ca(1), one Co(1), and one Si(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ca(1) and one Si(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to two equivalent Ca(1) and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_CaCoSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.944
_cell_length_b   7.944
_cell_length_c   5.194
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.279
_symmetry_Int_Tables_number   1
_cell_volume   327.770
_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  0.839  0.161  0.522  1.0
  Ca  Ca1  1  0.161  0.839  0.522  1.0
  Co  Co2  1  0.500  0.000  0.995  1.0
  Co  Co3  1  0.000  0.500  0.995  1.0
  Si  Si4  1  0.136  0.136  0.051  1.0
  Si  Si5  1  0.358  0.642  0.948  1.0
  Si  Si6  1  0.642  0.358  0.948  1.0
  Si  Si7  1  0.864  0.864  0.051  1.0
  O  O8  1  0.317  0.079  0.171  1.0
  O  O9  1  0.683  0.921  0.171  1.0
  O  O10  1  0.591  0.178  0.805  1.0
  O  O11  1  0.409  0.822  0.805  1.0
  O  O12  1  0.079  0.317  0.171  1.0
  O  O13  1  0.178  0.591  0.805  1.0
  O  O14  1  0.822  0.409  0.805  1.0
  O  O15  1  0.921  0.683  0.171  1.0
  O  O16  1  0.114  0.114  0.742  1.0
  O  O17  1  0.318  0.682  0.246  1.0
  O  O18  1  0.500  0.500  0.894  1.0
  O  O19  1  0.000  0.000  0.195  1.0
  O  O20  1  0.682  0.318  0.246  1.0
  O  O21  1  0.886  0.886  0.742  1.0
[/CIF]
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