The crystal structure described by CaCo2(PO4)2 crystallizes in the monoclinic C2/c 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(5), one O(6), and two equivalent O(8) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted CoO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Co site, Co(2) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one Co(2), and one P(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 P(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ca(1), one Co(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), one Co(1), one Co(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ca(1), one Co(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one Co(1), one Co(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(1) atom. is represented by the CIF file [CIF]
data_CaCo2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.004
_cell_length_b   9.004
_cell_length_c   16.932
_cell_angle_alpha   62.467
_cell_angle_beta   62.467
_cell_angle_gamma   32.513
_symmetry_Int_Tables_number   1
_cell_volume   646.698
_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  0.168  0.521  0.640  1.0
  Ca  Ca1  1  0.479  0.832  0.860  1.0
  Ca  Ca2  1  0.521  0.168  0.140  1.0
  Ca  Ca3  1  0.832  0.479  0.360  1.0
  Co  Co4  1  0.390  0.795  0.542  1.0
  Co  Co5  1  0.205  0.610  0.958  1.0
  Co  Co6  1  0.610  0.205  0.458  1.0
  Co  Co7  1  0.000  0.500  0.500  1.0
  Co  Co8  1  0.795  0.390  0.042  1.0
  Co  Co9  1  0.634  0.366  0.250  1.0
  Co  Co10  1  0.366  0.634  0.750  1.0
  Co  Co11  1  0.500  0.000  0.000  1.0
  P  P12  1  0.482  0.948  0.632  1.0
  P  P13  1  0.806  0.228  0.891  1.0
  P  P14  1  0.518  0.052  0.368  1.0
  P  P15  1  0.228  0.806  0.391  1.0
  P  P16  1  0.948  0.482  0.132  1.0
  P  P17  1  0.052  0.518  0.868  1.0
  P  P18  1  0.194  0.772  0.109  1.0
  P  P19  1  0.772  0.194  0.609  1.0
  O  O20  1  0.195  0.304  0.396  1.0
  O  O21  1  0.651  0.187  0.570  1.0
  O  O22  1  0.304  0.195  0.896  1.0
  O  O23  1  0.633  0.207  0.960  1.0
  O  O24  1  0.646  0.804  0.449  1.0
  O  O25  1  0.665  0.438  0.806  1.0
  O  O26  1  0.793  0.367  0.540  1.0
  O  O27  1  0.930  0.116  0.371  1.0
  O  O28  1  0.367  0.793  0.040  1.0
  O  O29  1  0.813  0.349  0.930  1.0
  O  O30  1  0.632  0.130  0.355  1.0
  O  O31  1  0.050  0.393  0.214  1.0
  O  O32  1  0.349  0.813  0.430  1.0
  O  O33  1  0.116  0.930  0.871  1.0
  O  O34  1  0.805  0.696  0.604  1.0
  O  O35  1  0.368  0.870  0.645  1.0
  O  O36  1  0.393  0.050  0.714  1.0
  O  O37  1  0.207  0.633  0.460  1.0
  O  O38  1  0.130  0.632  0.855  1.0
  O  O39  1  0.950  0.607  0.786  1.0
  O  O40  1  0.884  0.070  0.129  1.0
  O  O41  1  0.804  0.646  0.949  1.0
  O  O42  1  0.070  0.884  0.629  1.0
  O  O43  1  0.438  0.665  0.306  1.0
  O  O44  1  0.187  0.651  0.070  1.0
  O  O45  1  0.696  0.805  0.104  1.0
  O  O46  1  0.607  0.950  0.286  1.0
  O  O47  1  0.196  0.354  0.051  1.0
  O  O48  1  0.354  0.196  0.551  1.0
  O  O49  1  0.562  0.335  0.694  1.0
  O  O50  1  0.335  0.562  0.194  1.0
  O  O51  1  0.870  0.368  0.145  1.0
[/CIF]
.
The crystal structure described by CaCo2(PO4)2 crystallizes in the monoclinic C2/c 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(5), one O(6), and two equivalent O(8) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted CoO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Co site, Co(2) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one Co(2), and one P(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 P(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ca(1), one Co(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), one Co(1), one Co(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ca(1), one Co(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one Co(1), one Co(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(1) atom. is represented by the CIF file [CIF]
data_CaCo2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.004
_cell_length_b   9.004
_cell_length_c   16.932
_cell_angle_alpha   62.467
_cell_angle_beta   62.467
_cell_angle_gamma   32.513
_symmetry_Int_Tables_number   1
_cell_volume   646.698
_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  0.168  0.521  0.640  1.0
  Ca  Ca1  1  0.479  0.832  0.860  1.0
  Ca  Ca2  1  0.521  0.168  0.140  1.0
  Ca  Ca3  1  0.832  0.479  0.360  1.0
  Co  Co4  1  0.390  0.795  0.542  1.0
  Co  Co5  1  0.205  0.610  0.958  1.0
  Co  Co6  1  0.610  0.205  0.458  1.0
  Co  Co7  1  0.000  0.500  0.500  1.0
  Co  Co8  1  0.795  0.390  0.042  1.0
  Co  Co9  1  0.634  0.366  0.250  1.0
  Co  Co10  1  0.366  0.634  0.750  1.0
  Co  Co11  1  0.500  0.000  0.000  1.0
  P  P12  1  0.482  0.948  0.632  1.0
  P  P13  1  0.806  0.228  0.891  1.0
  P  P14  1  0.518  0.052  0.368  1.0
  P  P15  1  0.228  0.806  0.391  1.0
  P  P16  1  0.948  0.482  0.132  1.0
  P  P17  1  0.052  0.518  0.868  1.0
  P  P18  1  0.194  0.772  0.109  1.0
  P  P19  1  0.772  0.194  0.609  1.0
  O  O20  1  0.195  0.304  0.396  1.0
  O  O21  1  0.651  0.187  0.570  1.0
  O  O22  1  0.304  0.195  0.896  1.0
  O  O23  1  0.633  0.207  0.960  1.0
  O  O24  1  0.646  0.804  0.449  1.0
  O  O25  1  0.665  0.438  0.806  1.0
  O  O26  1  0.793  0.367  0.540  1.0
  O  O27  1  0.930  0.116  0.371  1.0
  O  O28  1  0.367  0.793  0.040  1.0
  O  O29  1  0.813  0.349  0.930  1.0
  O  O30  1  0.632  0.130  0.355  1.0
  O  O31  1  0.050  0.393  0.214  1.0
  O  O32  1  0.349  0.813  0.430  1.0
  O  O33  1  0.116  0.930  0.871  1.0
  O  O34  1  0.805  0.696  0.604  1.0
  O  O35  1  0.368  0.870  0.645  1.0
  O  O36  1  0.393  0.050  0.714  1.0
  O  O37  1  0.207  0.633  0.460  1.0
  O  O38  1  0.130  0.632  0.855  1.0
  O  O39  1  0.950  0.607  0.786  1.0
  O  O40  1  0.884  0.070  0.129  1.0
  O  O41  1  0.804  0.646  0.949  1.0
  O  O42  1  0.070  0.884  0.629  1.0
  O  O43  1  0.438  0.665  0.306  1.0
  O  O44  1  0.187  0.651  0.070  1.0
  O  O45  1  0.696  0.805  0.104  1.0
  O  O46  1  0.607  0.950  0.286  1.0
  O  O47  1  0.196  0.354  0.051  1.0
  O  O48  1  0.354  0.196  0.551  1.0
  O  O49  1  0.562  0.335  0.694  1.0
  O  O50  1  0.335  0.562  0.194  1.0
  O  O51  1  0.870  0.368  0.145  1.0
[/CIF]
.