The crystal structure described by MgFe4(PO3)12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(14), one O(17), one O(21), one O(23), and one O(29) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(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 FeO6 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, and  a cornercorner with one P(6)O4 tetrahedra. In the second Fe site, Fe(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 FeO6 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 Fe site, Fe(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 FeO6 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, and  a cornercorner with one P(9)O4 tetrahedra. In the fourth Fe site, Fe(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 FeO6 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, and  a cornercorner with one P(8)O4 tetrahedra. There are twelve inequivalent P sites. In the first P site, P(1) is bonded to one O(26), one O(31), one O(35), and one O(36) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(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 43-55°. 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(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 31-43°. 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(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 7-38°. In the fourth P site, P(4) is bonded to one O(27), one O(28), one O(3), and one O(32) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(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 48-51°. In the fifth P site, P(5) is bonded to one O(10), one O(2), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(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 41-51°. In the sixth P site, P(6) is bonded to one O(13), one O(17), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(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 44-57°. 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 Fe(3)O6 octahedra,  a cornercorner with one Fe(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 8-41°. 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 Fe(3)O6 octahedra,  a cornercorner with one Fe(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 10-39°. In the ninth P site, P(9) is bonded to one O(10), one O(14), one O(19), and one O(21) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(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 48-51°. In the tenth P site, P(10) is bonded to one O(17), one O(18), one O(23), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(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(20), one O(22), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(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 44-53°. In the twelfth P site, P(12) is bonded to one O(24), one O(35), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(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 range from 38-42°. There are thirty-six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(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 120 degrees geometry to one Fe(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(5) 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 Fe(4) and one P(6) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(4) and one P(12) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(6) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Fe(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 linear geometry to one Fe(4) and one P(7) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(4) and one P(8) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one P(6) and one P(8) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mg(1), 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 Fe(3) and one P(7) atom. In the sixteenth O site, O(16) is bonded in a linear geometry to one Fe(3) and one P(8) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Mg(1), 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 Fe(4) and one P(10) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(9) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and one P(11) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(3), and one P(9) 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 3-coordinate geometry to one Mg(1), one P(10), and one P(2) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(12) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(10) atom. In the twenty-sixth O site, O(26) is bonded in a bent 120 degrees geometry to one Fe(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 Fe(4) and one P(4) atom. In the twenty-eighth O site, O(28) is bonded in a 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 3-coordinate geometry to one Mg(1), one Fe(2), and one P(2) atom. In the thirtieth O site, O(30) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the thirty-first O site, O(31) is bonded in a distorted 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 Fe(1) and one P(2) atom. In the thirty-fourth O site, O(34) is bonded in a linear geometry to one Fe(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 Fe(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe4(PO3)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.598
_cell_length_b   8.678
_cell_length_c   8.843
_cell_angle_alpha   89.708
_cell_angle_beta   90.844
_cell_angle_gamma   90.527
_symmetry_Int_Tables_number   1
_cell_volume   659.703
_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  0.492  0.518  0.454  1.0
  Fe  Fe1  1  0.882  0.640  0.350  1.0
  Fe  Fe2  1  0.634  0.355  0.852  1.0
  Fe  Fe3  1  0.364  0.867  0.652  1.0
  Fe  Fe4  1  0.127  0.142  0.151  1.0
  P  P5  1  0.686  0.983  0.805  1.0
  P  P6  1  0.713  0.300  0.437  1.0
  P  P7  1  0.796  0.692  0.948  1.0
  P  P8  1  0.824  0.008  0.320  1.0
  P  P9  1  0.029  0.672  0.694  1.0
  P  P10  1  0.189  0.516  0.188  1.0
  P  P11  1  0.198  0.197  0.551  1.0
  P  P12  1  0.294  0.814  0.053  1.0
  P  P13  1  0.309  0.482  0.705  1.0
  P  P14  1  0.469  0.312  0.179  1.0
  P  P15  1  0.529  0.831  0.309  1.0
  P  P16  1  0.964  0.180  0.805  1.0
  O  O17  1  0.615  0.685  0.360  1.0
  O  O18  1  0.952  0.715  0.852  1.0
  O  O19  1  0.904  0.877  0.395  1.0
  O  O20  1  0.912  0.604  0.587  1.0
  O  O21  1  0.040  0.222  0.646  1.0
  O  O22  1  0.112  0.376  0.121  1.0
  O  O23  1  0.083  0.137  0.923  1.0
  O  O24  1  0.126  0.593  0.324  1.0
  O  O25  1  0.130  0.802  0.645  1.0
  O  O26  1  0.144  0.531  0.761  1.0
  O  O27  1  0.154  0.174  0.388  1.0
  O  O28  1  0.185  0.919  0.137  1.0
  O  O29  1  0.225  0.638  0.058  1.0
  O  O30  1  0.274  0.373  0.559  1.0
  O  O31  1  0.305  0.096  0.637  1.0
  O  O32  1  0.337  0.846  0.895  1.0
  O  O33  1  0.371  0.462  0.239  1.0
  O  O34  1  0.360  0.184  0.135  1.0
  O  O35  1  0.399  0.396  0.824  1.0
  O  O36  1  0.411  0.891  0.414  1.0
  O  O37  1  0.396  0.614  0.629  1.0
  O  O38  1  0.454  0.791  0.148  1.0
  O  O39  1  0.546  0.279  0.342  1.0
  O  O40  1  0.858  0.313  0.841  1.0
  O  O41  1  0.594  0.363  0.074  1.0
  O  O42  1  0.607  0.901  0.677  1.0
  O  O43  1  0.902  0.096  0.194  1.0
  O  O44  1  0.654  0.959  0.256  1.0
  O  O45  1  0.644  0.360  0.583  1.0
  O  O46  1  0.687  0.580  0.868  1.0
  O  O47  1  0.721  0.863  0.941  1.0
  O  O48  1  0.773  0.129  0.453  1.0
  O  O49  1  0.819  0.402  0.351  1.0
  O  O50  1  0.842  0.664  0.109  1.0
  O  O51  1  0.861  0.032  0.757  1.0
  O  O52  1  0.608  0.124  0.868  1.0
[/CIF]
.
The crystal structure described by MgFe4(PO3)12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(14), one O(17), one O(21), one O(23), and one O(29) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(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 FeO6 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, and  a cornercorner with one P(6)O4 tetrahedra. In the second Fe site, Fe(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 FeO6 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 Fe site, Fe(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 FeO6 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, and  a cornercorner with one P(9)O4 tetrahedra. In the fourth Fe site, Fe(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 FeO6 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, and  a cornercorner with one P(8)O4 tetrahedra. There are twelve inequivalent P sites. In the first P site, P(1) is bonded to one O(26), one O(31), one O(35), and one O(36) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(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 43-55°. 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(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 31-43°. 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(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 7-38°. In the fourth P site, P(4) is bonded to one O(27), one O(28), one O(3), and one O(32) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(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 48-51°. In the fifth P site, P(5) is bonded to one O(10), one O(2), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(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 41-51°. In the sixth P site, P(6) is bonded to one O(13), one O(17), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(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 44-57°. 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 Fe(3)O6 octahedra,  a cornercorner with one Fe(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 8-41°. 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 Fe(3)O6 octahedra,  a cornercorner with one Fe(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 10-39°. In the ninth P site, P(9) is bonded to one O(10), one O(14), one O(19), and one O(21) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(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 48-51°. In the tenth P site, P(10) is bonded to one O(17), one O(18), one O(23), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(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(20), one O(22), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(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 44-53°. In the twelfth P site, P(12) is bonded to one O(24), one O(35), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(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 range from 38-42°. There are thirty-six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(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 120 degrees geometry to one Fe(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(5) 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 Fe(4) and one P(6) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(4) and one P(12) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(6) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Fe(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 linear geometry to one Fe(4) and one P(7) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(4) and one P(8) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one P(6) and one P(8) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mg(1), 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 Fe(3) and one P(7) atom. In the sixteenth O site, O(16) is bonded in a linear geometry to one Fe(3) and one P(8) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Mg(1), 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 Fe(4) and one P(10) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(9) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and one P(11) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(3), and one P(9) 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 3-coordinate geometry to one Mg(1), one P(10), and one P(2) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(12) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(10) atom. In the twenty-sixth O site, O(26) is bonded in a bent 120 degrees geometry to one Fe(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 Fe(4) and one P(4) atom. In the twenty-eighth O site, O(28) is bonded in a 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 3-coordinate geometry to one Mg(1), one Fe(2), and one P(2) atom. In the thirtieth O site, O(30) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the thirty-first O site, O(31) is bonded in a distorted 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 Fe(1) and one P(2) atom. In the thirty-fourth O site, O(34) is bonded in a linear geometry to one Fe(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 Fe(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe4(PO3)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.598
_cell_length_b   8.678
_cell_length_c   8.843
_cell_angle_alpha   89.708
_cell_angle_beta   90.844
_cell_angle_gamma   90.527
_symmetry_Int_Tables_number   1
_cell_volume   659.703
_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  0.492  0.518  0.454  1.0
  Fe  Fe1  1  0.882  0.640  0.350  1.0
  Fe  Fe2  1  0.634  0.355  0.852  1.0
  Fe  Fe3  1  0.364  0.867  0.652  1.0
  Fe  Fe4  1  0.127  0.142  0.151  1.0
  P  P5  1  0.686  0.983  0.805  1.0
  P  P6  1  0.713  0.300  0.437  1.0
  P  P7  1  0.796  0.692  0.948  1.0
  P  P8  1  0.824  0.008  0.320  1.0
  P  P9  1  0.029  0.672  0.694  1.0
  P  P10  1  0.189  0.516  0.188  1.0
  P  P11  1  0.198  0.197  0.551  1.0
  P  P12  1  0.294  0.814  0.053  1.0
  P  P13  1  0.309  0.482  0.705  1.0
  P  P14  1  0.469  0.312  0.179  1.0
  P  P15  1  0.529  0.831  0.309  1.0
  P  P16  1  0.964  0.180  0.805  1.0
  O  O17  1  0.615  0.685  0.360  1.0
  O  O18  1  0.952  0.715  0.852  1.0
  O  O19  1  0.904  0.877  0.395  1.0
  O  O20  1  0.912  0.604  0.587  1.0
  O  O21  1  0.040  0.222  0.646  1.0
  O  O22  1  0.112  0.376  0.121  1.0
  O  O23  1  0.083  0.137  0.923  1.0
  O  O24  1  0.126  0.593  0.324  1.0
  O  O25  1  0.130  0.802  0.645  1.0
  O  O26  1  0.144  0.531  0.761  1.0
  O  O27  1  0.154  0.174  0.388  1.0
  O  O28  1  0.185  0.919  0.137  1.0
  O  O29  1  0.225  0.638  0.058  1.0
  O  O30  1  0.274  0.373  0.559  1.0
  O  O31  1  0.305  0.096  0.637  1.0
  O  O32  1  0.337  0.846  0.895  1.0
  O  O33  1  0.371  0.462  0.239  1.0
  O  O34  1  0.360  0.184  0.135  1.0
  O  O35  1  0.399  0.396  0.824  1.0
  O  O36  1  0.411  0.891  0.414  1.0
  O  O37  1  0.396  0.614  0.629  1.0
  O  O38  1  0.454  0.791  0.148  1.0
  O  O39  1  0.546  0.279  0.342  1.0
  O  O40  1  0.858  0.313  0.841  1.0
  O  O41  1  0.594  0.363  0.074  1.0
  O  O42  1  0.607  0.901  0.677  1.0
  O  O43  1  0.902  0.096  0.194  1.0
  O  O44  1  0.654  0.959  0.256  1.0
  O  O45  1  0.644  0.360  0.583  1.0
  O  O46  1  0.687  0.580  0.868  1.0
  O  O47  1  0.721  0.863  0.941  1.0
  O  O48  1  0.773  0.129  0.453  1.0
  O  O49  1  0.819  0.402  0.351  1.0
  O  O50  1  0.842  0.664  0.109  1.0
  O  O51  1  0.861  0.032  0.757  1.0
  O  O52  1  0.608  0.124  0.868  1.0
[/CIF]
.