The structure described by CaCoSi2O7 crystallizes in the monoclinic P2 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(8), and two equivalent O(5) atoms. There are two inequivalent Co sites. In the first Co site, 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. In the second Co site, Co(2) is bonded to two equivalent O(3) and two equivalent O(4) 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(1), one O(3), one O(5), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra, and  a cornercorner with one Si(1)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. There are eight 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 3-coordinate geometry to one Ca(1), one Co(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Co(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Co(2), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ca(1) and one Si(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ca(1) and one Si(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. In the eighth O site, O(8) is bonded in a distorted tetrahedral geometry to two equivalent Ca(1) and two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCoSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.271
_cell_length_b   7.922
_cell_length_c   7.972
_cell_angle_alpha   89.304
_cell_angle_beta   89.996
_cell_angle_gamma   90.011
_symmetry_Int_Tables_number   1
_cell_volume   332.881
_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  0.483  0.166  0.674  1.0
  Ca  Ca1  1  0.483  0.835  0.326  1.0
  Co  Co2  1  0.007  0.500  0.500  1.0
  Co  Co3  1  0.017  0.000  1.000  1.0
  Si  Si4  1  0.937  0.868  0.635  1.0
  Si  Si5  1  0.052  0.642  0.142  1.0
  Si  Si6  1  0.051  0.358  0.858  1.0
  Si  Si7  1  0.937  0.132  0.366  1.0
  O  O8  1  0.836  0.682  0.583  1.0
  O  O9  1  0.836  0.318  0.417  1.0
  O  O10  1  0.196  0.412  0.678  1.0
  O  O11  1  0.196  0.588  0.322  1.0
  O  O12  1  0.833  0.927  0.816  1.0
  O  O13  1  0.205  0.819  0.090  1.0
  O  O14  1  0.204  0.181  0.910  1.0
  O  O15  1  0.833  0.073  0.184  1.0
  O  O16  1  0.244  0.899  0.600  1.0
  O  O17  1  0.760  0.677  0.189  1.0
  O  O18  1  0.099  0.500  1.000  1.0
  O  O19  1  0.783  1.000  0.500  1.0
  O  O20  1  0.760  0.323  0.812  1.0
  O  O21  1  0.244  0.101  0.400  1.0
[/CIF]
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The structure described by CaCoSi2O7 crystallizes in the monoclinic P2 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(8), and two equivalent O(5) atoms. There are two inequivalent Co sites. In the first Co site, 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. In the second Co site, Co(2) is bonded to two equivalent O(3) and two equivalent O(4) 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(1), one O(3), one O(5), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra, and  a cornercorner with one Si(1)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. There are eight 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 3-coordinate geometry to one Ca(1), one Co(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Co(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Co(2), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ca(1) and one Si(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ca(1) and one Si(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. In the eighth O site, O(8) is bonded in a distorted tetrahedral geometry to two equivalent Ca(1) and two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCoSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.271
_cell_length_b   7.922
_cell_length_c   7.972
_cell_angle_alpha   89.304
_cell_angle_beta   89.996
_cell_angle_gamma   90.011
_symmetry_Int_Tables_number   1
_cell_volume   332.881
_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  0.483  0.166  0.674  1.0
  Ca  Ca1  1  0.483  0.835  0.326  1.0
  Co  Co2  1  0.007  0.500  0.500  1.0
  Co  Co3  1  0.017  0.000  1.000  1.0
  Si  Si4  1  0.937  0.868  0.635  1.0
  Si  Si5  1  0.052  0.642  0.142  1.0
  Si  Si6  1  0.051  0.358  0.858  1.0
  Si  Si7  1  0.937  0.132  0.366  1.0
  O  O8  1  0.836  0.682  0.583  1.0
  O  O9  1  0.836  0.318  0.417  1.0
  O  O10  1  0.196  0.412  0.678  1.0
  O  O11  1  0.196  0.588  0.322  1.0
  O  O12  1  0.833  0.927  0.816  1.0
  O  O13  1  0.205  0.819  0.090  1.0
  O  O14  1  0.204  0.181  0.910  1.0
  O  O15  1  0.833  0.073  0.184  1.0
  O  O16  1  0.244  0.899  0.600  1.0
  O  O17  1  0.760  0.677  0.189  1.0
  O  O18  1  0.099  0.500  1.000  1.0
  O  O19  1  0.783  1.000  0.500  1.0
  O  O20  1  0.760  0.323  0.812  1.0
  O  O21  1  0.244  0.101  0.400  1.0
[/CIF]
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