The crystal structure described by Ca2CoNiSi4O12 is Esseneite-derived 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 two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with four equivalent Si(2)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. 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(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-58°. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(2), one Co(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ca(1), one Ni(1), and one Si(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Co(1), one Ni(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(2), one Co(1), one Ni(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(2), one Si(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(2), one Si(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Ca2CoSi4NiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.312
_cell_length_b   6.705
_cell_length_c   6.705
_cell_angle_alpha   84.564
_cell_angle_beta   78.036
_cell_angle_gamma   78.036
_symmetry_Int_Tables_number   1
_cell_volume   228.170
_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  0.750  0.703  0.297  1.0
  Ca  Ca1  1  0.250  0.297  0.703  1.0
  Co  Co2  1  0.750  0.092  0.908  1.0
  Si  Si3  1  0.729  0.621  0.806  1.0
  Si  Si4  1  0.771  0.194  0.379  1.0
  Si  Si5  1  0.270  0.380  0.195  1.0
  Si  Si6  1  0.230  0.805  0.620  1.0
  Ni  Ni7  1  0.250  0.908  0.092  1.0
  O  O8  1  0.823  0.390  0.888  1.0
  O  O9  1  0.677  0.112  0.610  1.0
  O  O10  1  0.178  0.612  0.113  1.0
  O  O11  1  0.322  0.887  0.388  1.0
  O  O12  1  0.641  0.795  0.972  1.0
  O  O13  1  0.859  0.028  0.205  1.0
  O  O14  1  0.355  0.204  0.029  1.0
  O  O15  1  0.145  0.971  0.796  1.0
  O  O16  1  0.496  0.631  0.667  1.0
  O  O17  1  0.004  0.333  0.369  1.0
  O  O18  1  0.504  0.368  0.332  1.0
  O  O19  1  0.996  0.668  0.632  1.0
[/CIF]
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The crystal structure described by Ca2CoNiSi4O12 is Esseneite-derived 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 two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with four equivalent Si(2)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. 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(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-58°. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(2), one Co(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ca(1), one Ni(1), and one Si(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Co(1), one Ni(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(2), one Co(1), one Ni(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(2), one Si(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(2), one Si(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Ca2CoSi4NiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.312
_cell_length_b   6.705
_cell_length_c   6.705
_cell_angle_alpha   84.564
_cell_angle_beta   78.036
_cell_angle_gamma   78.036
_symmetry_Int_Tables_number   1
_cell_volume   228.170
_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  0.750  0.703  0.297  1.0
  Ca  Ca1  1  0.250  0.297  0.703  1.0
  Co  Co2  1  0.750  0.092  0.908  1.0
  Si  Si3  1  0.729  0.621  0.806  1.0
  Si  Si4  1  0.771  0.194  0.379  1.0
  Si  Si5  1  0.270  0.380  0.195  1.0
  Si  Si6  1  0.230  0.805  0.620  1.0
  Ni  Ni7  1  0.250  0.908  0.092  1.0
  O  O8  1  0.823  0.390  0.888  1.0
  O  O9  1  0.677  0.112  0.610  1.0
  O  O10  1  0.178  0.612  0.113  1.0
  O  O11  1  0.322  0.887  0.388  1.0
  O  O12  1  0.641  0.795  0.972  1.0
  O  O13  1  0.859  0.028  0.205  1.0
  O  O14  1  0.355  0.204  0.029  1.0
  O  O15  1  0.145  0.971  0.796  1.0
  O  O16  1  0.496  0.631  0.667  1.0
  O  O17  1  0.004  0.333  0.369  1.0
  O  O18  1  0.504  0.368  0.332  1.0
  O  O19  1  0.996  0.668  0.632  1.0
[/CIF]
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