The material structure described by MgCo4(PO3)12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(12), one O(21), one O(4), one O(8), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one P(11)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one Co(4)O6 octahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(33), one O(34), one O(4), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one P(11)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. In the second Co site, Co(2) is bonded to one O(19), one O(24), one O(25), one O(29), one O(30), and one O(36) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(10)O4 tetrahedra,  a cornercorner with one P(12)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(9)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(15), one O(16), one O(20), one O(21), one O(26), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(11)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  a cornercorner with one P(9)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(11), one O(12), one O(18), one O(27), one O(6), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one P(10)O4 tetrahedra,  a cornercorner with one P(12)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. There are twelve inequivalent P sites. In the first P site, P(1) is bonded to one O(25), one O(26), one O(31), and one O(35) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(12)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second P site, P(2) is bonded to one O(23), one O(29), one O(32), and one O(33) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(10)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-43°. In the third P site, P(3) is bonded to one O(2), one O(30), one O(31), and one O(34) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-39°. In the fourth P site, P(4) is bonded to one O(27), one O(28), one O(32), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(11)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the fifth P site, P(5) is bonded to one O(10), one O(2), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the sixth P site, P(6) is bonded to one O(13), one O(17), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(10)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-62°. In the seventh P site, P(7) is bonded to one O(11), one O(14), one O(15), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(12)O4 tetrahedra, and  a cornercorner with one P(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-65°. In the eighth P site, P(8) is bonded to one O(12), one O(13), one O(16), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(11)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-57°. In the ninth P site, P(9) is bonded to one O(10), one O(14), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the tenth P site, P(10) is bonded to one O(17), one O(18), one O(23), and one O(36) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-44°. In the eleventh P site, P(11) is bonded to one O(1), one O(21), one O(22), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the twelfth P site, P(12) is bonded to one O(24), one O(35), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are thirty-six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(11) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(12) and one P(7) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Co(4) and one P(12) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Co(4) and one P(6) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one P(6) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Co(3), and one P(5) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one P(5) and one P(9) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mg(1), one Co(4), and one P(7) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(4), and one P(8) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one P(6) and one P(8) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one P(7) and one P(9) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one P(7) atom. In the sixteenth O site, O(16) is bonded in a linear geometry to one Co(3) and one P(8) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one P(10) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Co(4) and one P(10) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(9) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one Co(3) and one P(9) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Mg(1), one Co(3), and one P(11) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one P(11) and one P(8) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one P(10) and one P(2) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(12) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(1) atom. In the twenty-sixth O site, O(26) is bonded in a bent 120 degrees geometry to one Co(3) and one P(1) atom. In the twenty-seventh O site, O(27) is bonded in a distorted bent 120 degrees geometry to one Co(4) and one P(4) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 120 degrees geometry to one P(11) and one P(4) atom. In the twenty-ninth O site, O(29) is bonded in a linear geometry to one Co(2) and one P(2) atom. In the thirtieth O site, O(30) is bonded in a bent 150 degrees geometry to one Co(2) and one P(3) atom. In the thirty-first O site, O(31) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the thirty-second O site, O(32) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the thirty-third O site, O(33) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(2) atom. In the thirty-fourth O site, O(34) is bonded in a distorted linear geometry to one Co(1) and one P(3) atom. In the thirty-fifth O site, O(35) is bonded in a bent 120 degrees geometry to one P(1) and one P(12) atom. In the thirty-sixth O site, O(36) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(10) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo4(PO3)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.488
_cell_length_b   8.577
_cell_length_c   8.732
_cell_angle_alpha   88.855
_cell_angle_beta   89.517
_cell_angle_gamma   90.113
_symmetry_Int_Tables_number   1
_cell_volume   635.543
_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
  Mg  Mg0  1  0.151  0.132  0.386  1.0
  Co  Co1  1  0.858  0.367  0.347  1.0
  Co  Co2  1  0.629  0.642  0.851  1.0
  Co  Co3  1  0.379  0.146  0.662  1.0
  Co  Co4  1  0.129  0.850  0.144  1.0
  P  P5  1  0.686  0.012  0.806  1.0
  P  P6  1  0.702  0.692  0.449  1.0
  P  P7  1  0.797  0.305  0.944  1.0
  P  P8  1  0.817  0.984  0.311  1.0
  P  P9  1  0.031  0.326  0.681  1.0
  P  P10  1  0.186  0.477  0.195  1.0
  P  P11  1  0.207  0.817  0.564  1.0
  P  P12  1  0.298  0.195  0.052  1.0
  P  P13  1  0.321  0.515  0.682  1.0
  P  P14  1  0.466  0.676  0.190  1.0
  P  P15  1  0.531  0.182  0.307  1.0
  P  P16  1  0.966  0.818  0.815  1.0
  O  O17  1  0.629  0.314  0.360  1.0
  O  O18  1  0.957  0.276  0.844  1.0
  O  O19  1  0.905  0.383  0.575  1.0
  O  O20  1  0.908  0.122  0.375  1.0
  O  O21  1  0.046  0.775  0.655  1.0
  O  O22  1  0.092  0.871  0.922  1.0
  O  O23  1  0.092  0.615  0.145  1.0
  O  O24  1  0.116  0.372  0.320  1.0
  O  O25  1  0.132  0.194  0.619  1.0
  O  O26  1  0.146  0.464  0.737  1.0
  O  O27  1  0.159  0.879  0.407  1.0
  O  O28  1  0.192  0.091  0.152  1.0
  O  O29  1  0.225  0.369  0.051  1.0
  O  O30  1  0.280  0.645  0.550  1.0
  O  O31  1  0.313  0.919  0.654  1.0
  O  O32  1  0.334  0.155  0.892  1.0
  O  O33  1  0.359  0.527  0.248  1.0
  O  O34  1  0.358  0.807  0.144  1.0
  O  O35  1  0.400  0.594  0.815  1.0
  O  O36  1  0.401  0.379  0.612  1.0
  O  O37  1  0.395  0.130  0.410  1.0
  O  O38  1  0.461  0.222  0.141  1.0
  O  O39  1  0.544  0.721  0.350  1.0
  O  O40  1  0.860  0.685  0.865  1.0
  O  O41  1  0.603  0.870  0.875  1.0
  O  O42  1  0.610  0.094  0.673  1.0
  O  O43  1  0.896  0.903  0.180  1.0
  O  O44  1  0.643  0.038  0.262  1.0
  O  O45  1  0.654  0.658  0.611  1.0
  O  O46  1  0.689  0.417  0.860  1.0
  O  O47  1  0.718  0.133  0.941  1.0
  O  O48  1  0.777  0.866  0.449  1.0
  O  O49  1  0.813  0.592  0.361  1.0
  O  O50  1  0.846  0.332  0.105  1.0
  O  O51  1  0.862  0.965  0.757  1.0
  O  O52  1  0.590  0.622  0.080  1.0
[/CIF]
.
The material structure described by MgCo4(PO3)12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(12), one O(21), one O(4), one O(8), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one P(11)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one Co(4)O6 octahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(33), one O(34), one O(4), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one P(11)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. In the second Co site, Co(2) is bonded to one O(19), one O(24), one O(25), one O(29), one O(30), and one O(36) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(10)O4 tetrahedra,  a cornercorner with one P(12)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(9)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(15), one O(16), one O(20), one O(21), one O(26), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(11)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  a cornercorner with one P(9)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(11), one O(12), one O(18), one O(27), one O(6), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one P(10)O4 tetrahedra,  a cornercorner with one P(12)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. There are twelve inequivalent P sites. In the first P site, P(1) is bonded to one O(25), one O(26), one O(31), and one O(35) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(12)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second P site, P(2) is bonded to one O(23), one O(29), one O(32), and one O(33) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(10)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-43°. In the third P site, P(3) is bonded to one O(2), one O(30), one O(31), and one O(34) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-39°. In the fourth P site, P(4) is bonded to one O(27), one O(28), one O(32), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(11)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the fifth P site, P(5) is bonded to one O(10), one O(2), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the sixth P site, P(6) is bonded to one O(13), one O(17), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(10)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-62°. In the seventh P site, P(7) is bonded to one O(11), one O(14), one O(15), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(12)O4 tetrahedra, and  a cornercorner with one P(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-65°. In the eighth P site, P(8) is bonded to one O(12), one O(13), one O(16), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(11)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-57°. In the ninth P site, P(9) is bonded to one O(10), one O(14), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the tenth P site, P(10) is bonded to one O(17), one O(18), one O(23), and one O(36) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-44°. In the eleventh P site, P(11) is bonded to one O(1), one O(21), one O(22), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the twelfth P site, P(12) is bonded to one O(24), one O(35), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are thirty-six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(11) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(12) and one P(7) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Co(4) and one P(12) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Co(4) and one P(6) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one P(6) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Co(3), and one P(5) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one P(5) and one P(9) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mg(1), one Co(4), and one P(7) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(4), and one P(8) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one P(6) and one P(8) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one P(7) and one P(9) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one P(7) atom. In the sixteenth O site, O(16) is bonded in a linear geometry to one Co(3) and one P(8) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one P(10) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Co(4) and one P(10) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(9) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one Co(3) and one P(9) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Mg(1), one Co(3), and one P(11) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one P(11) and one P(8) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one P(10) and one P(2) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(12) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(1) atom. In the twenty-sixth O site, O(26) is bonded in a bent 120 degrees geometry to one Co(3) and one P(1) atom. In the twenty-seventh O site, O(27) is bonded in a distorted bent 120 degrees geometry to one Co(4) and one P(4) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 120 degrees geometry to one P(11) and one P(4) atom. In the twenty-ninth O site, O(29) is bonded in a linear geometry to one Co(2) and one P(2) atom. In the thirtieth O site, O(30) is bonded in a bent 150 degrees geometry to one Co(2) and one P(3) atom. In the thirty-first O site, O(31) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the thirty-second O site, O(32) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the thirty-third O site, O(33) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(2) atom. In the thirty-fourth O site, O(34) is bonded in a distorted linear geometry to one Co(1) and one P(3) atom. In the thirty-fifth O site, O(35) is bonded in a bent 120 degrees geometry to one P(1) and one P(12) atom. In the thirty-sixth O site, O(36) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(10) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo4(PO3)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.488
_cell_length_b   8.577
_cell_length_c   8.732
_cell_angle_alpha   88.855
_cell_angle_beta   89.517
_cell_angle_gamma   90.113
_symmetry_Int_Tables_number   1
_cell_volume   635.543
_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
  Mg  Mg0  1  0.151  0.132  0.386  1.0
  Co  Co1  1  0.858  0.367  0.347  1.0
  Co  Co2  1  0.629  0.642  0.851  1.0
  Co  Co3  1  0.379  0.146  0.662  1.0
  Co  Co4  1  0.129  0.850  0.144  1.0
  P  P5  1  0.686  0.012  0.806  1.0
  P  P6  1  0.702  0.692  0.449  1.0
  P  P7  1  0.797  0.305  0.944  1.0
  P  P8  1  0.817  0.984  0.311  1.0
  P  P9  1  0.031  0.326  0.681  1.0
  P  P10  1  0.186  0.477  0.195  1.0
  P  P11  1  0.207  0.817  0.564  1.0
  P  P12  1  0.298  0.195  0.052  1.0
  P  P13  1  0.321  0.515  0.682  1.0
  P  P14  1  0.466  0.676  0.190  1.0
  P  P15  1  0.531  0.182  0.307  1.0
  P  P16  1  0.966  0.818  0.815  1.0
  O  O17  1  0.629  0.314  0.360  1.0
  O  O18  1  0.957  0.276  0.844  1.0
  O  O19  1  0.905  0.383  0.575  1.0
  O  O20  1  0.908  0.122  0.375  1.0
  O  O21  1  0.046  0.775  0.655  1.0
  O  O22  1  0.092  0.871  0.922  1.0
  O  O23  1  0.092  0.615  0.145  1.0
  O  O24  1  0.116  0.372  0.320  1.0
  O  O25  1  0.132  0.194  0.619  1.0
  O  O26  1  0.146  0.464  0.737  1.0
  O  O27  1  0.159  0.879  0.407  1.0
  O  O28  1  0.192  0.091  0.152  1.0
  O  O29  1  0.225  0.369  0.051  1.0
  O  O30  1  0.280  0.645  0.550  1.0
  O  O31  1  0.313  0.919  0.654  1.0
  O  O32  1  0.334  0.155  0.892  1.0
  O  O33  1  0.359  0.527  0.248  1.0
  O  O34  1  0.358  0.807  0.144  1.0
  O  O35  1  0.400  0.594  0.815  1.0
  O  O36  1  0.401  0.379  0.612  1.0
  O  O37  1  0.395  0.130  0.410  1.0
  O  O38  1  0.461  0.222  0.141  1.0
  O  O39  1  0.544  0.721  0.350  1.0
  O  O40  1  0.860  0.685  0.865  1.0
  O  O41  1  0.603  0.870  0.875  1.0
  O  O42  1  0.610  0.094  0.673  1.0
  O  O43  1  0.896  0.903  0.180  1.0
  O  O44  1  0.643  0.038  0.262  1.0
  O  O45  1  0.654  0.658  0.611  1.0
  O  O46  1  0.689  0.417  0.860  1.0
  O  O47  1  0.718  0.133  0.941  1.0
  O  O48  1  0.777  0.866  0.449  1.0
  O  O49  1  0.813  0.592  0.361  1.0
  O  O50  1  0.846  0.332  0.105  1.0
  O  O51  1  0.862  0.965  0.757  1.0
  O  O52  1  0.590  0.622  0.080  1.0
[/CIF]
.