The material structure described by MgMn2(PO4)2 crystallizes in the triclinic P1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one O(15), one O(17), one O(2), one O(20), one O(23), and one O(29) atom. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(17), one O(20), one O(22), and one O(3) atom. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one O(12), one O(21), one O(25), one O(26), one O(27), and one O(28) atom. In the fourth Mg site, Mg(4) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(13), one O(27), one O(5), and one O(8) atom. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(13), one O(16), one O(23), one O(5), and one O(7) atom. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(14), one O(19), one O(25), one O(28), and one O(4) atom. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(11), one O(18), one O(2), one O(29), and one O(8) atom. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(15), one O(18), one O(29), one O(5), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the fifth Mn site, Mn(5) is bonded in a 5-coordinate geometry to one O(10), one O(21), one O(22), one O(32), and one O(9) atom. In the sixth Mn site, Mn(6) is bonded to one O(11), one O(24), one O(31), and one O(32) atom to form MnO4 tetrahedra that share  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(7)O4 tetrahedra. In the seventh Mn site, Mn(7) is bonded to one O(16), one O(19), one O(30), and one O(6) atom to form MnO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the eighth Mn site, Mn(8) is bonded to one O(22), one O(26), one O(28), one O(3), one O(4), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and corners with two equivalent P(6)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(15), one O(16), one O(17), and one O(29) atom to form PO4 tetrahedra that share corners with two equivalent Mn(4)O6 octahedra and  a cornercorner with one Mn(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-63°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(8)O6 octahedra and  a cornercorner with one Mn(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. In the third P site, P(3) is bonded to one O(1), one O(11), one O(27), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mn(4)O6 octahedra and  a cornercorner with one Mn(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-63°. In the fourth P site, P(4) is bonded to one O(13), one O(18), one O(24), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra and  a cornercorner with one Mn(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. In the fifth P site, P(5) is bonded to one O(12), one O(26), one O(28), and one O(32) atom to form PO4 tetrahedra that share corners with two equivalent Mn(8)O6 octahedra and  a cornercorner with one Mn(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-62°. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(22), and one O(3) atom to form PO4 tetrahedra that share corners with two equivalent Mn(8)O6 octahedra and  a cornercorner with one Mn(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-63°. In the seventh P site, P(7) is bonded to one O(21), one O(25), one O(31), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(8)O6 octahedra and  a cornercorner with one Mn(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. In the eighth P site, P(8) is bonded to one O(2), one O(23), one O(30), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra and  a cornercorner with one Mn(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(4), one Mn(4), and one P(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(3), and one P(8) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(2), one Mn(8), and one P(6) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(8), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(4), one Mn(1), one Mn(4), and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(7) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(4), and one P(8) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mg(4), one Mn(3), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mn(5), one Mn(8), and one P(7) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(2), one Mn(5), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(6), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mg(3), one Mg(4), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mg(4), one Mn(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Mg(2), one Mn(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(7), and one P(1) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Mg(1), one Mg(2), and one P(1) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(4), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(7), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Mg(1), one Mg(2), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a trigonal planar geometry to one Mg(3), one Mn(5), and one P(7) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Mg(2), one Mn(5), one Mn(8), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Mg(1), one Mn(1), and one P(8) atom. In the twenty-fourth O site, O(24) is bonded in a bent 120 degrees geometry to one Mn(6) and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Mg(3), one Mn(2), and one P(7) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Mg(3), one Mn(8), and one P(5) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Mg(3), one Mg(4), and one P(3) atom. In the twenty-eighth O site, O(28) is bonded in a 4-coordinate geometry to one Mg(3), one Mn(2), one Mn(8), and one P(5) atom. In the twenty-ninth O site, O(29) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(3), one Mn(4), and one P(1) atom. In the thirtieth O site, O(30) is bonded in a bent 120 degrees geometry to one Mn(7) and one P(8) atom. In the thirty-first O site, O(31) is bonded in a bent 120 degrees geometry to one Mn(6) and one P(7) atom. In the thirty-second O site, O(32) is bonded in a distorted trigonal planar geometry to one Mn(5), one Mn(6), and one P(5) atom. is represented by the CIF card [CIF]
data_MgMn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.122
_cell_length_b   8.456
_cell_length_c   15.553
_cell_angle_alpha   89.499
_cell_angle_beta   80.491
_cell_angle_gamma   72.383
_symmetry_Int_Tables_number   1
_cell_volume   632.643
_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
  Mg  Mg0  1  0.478  0.809  0.847  1.0
  Mg  Mg1  1  0.133  0.691  0.654  1.0
  Mg  Mg2  1  0.864  0.309  0.347  1.0
  Mg  Mg3  1  0.520  0.190  0.154  1.0
  Mn  Mn4  1  0.237  0.199  0.967  1.0
  Mn  Mn5  1  0.402  0.302  0.533  1.0
  Mn  Mn6  1  0.761  0.801  0.033  1.0
  Mn  Mn7  1  0.497  0.500  0.001  1.0
  Mn  Mn8  1  0.594  0.700  0.467  1.0
  Mn  Mn9  1  0.517  0.750  0.251  1.0
  Mn  Mn10  1  0.479  0.250  0.750  1.0
  Mn  Mn11  1  0.998  0.001  0.500  1.0
  P  P12  1  0.066  0.565  0.862  1.0
  P  P13  1  0.775  0.434  0.618  1.0
  P  P14  1  0.928  0.436  0.138  1.0
  P  P15  1  0.171  0.933  0.118  1.0
  P  P16  1  0.504  0.064  0.362  1.0
  P  P17  1  0.493  0.936  0.638  1.0
  P  P18  1  0.220  0.567  0.383  1.0
  P  P19  1  0.828  0.067  0.883  1.0
  O  O20  1  0.704  0.369  0.108  1.0
  O  O21  1  0.685  0.932  0.916  1.0
  O  O22  1  0.814  0.869  0.607  1.0
  O  O23  1  0.828  0.271  0.562  1.0
  O  O24  1  0.187  0.393  0.063  1.0
  O  O25  1  0.677  0.420  0.715  1.0
  O  O26  1  0.661  0.230  0.938  1.0
  O  O27  1  0.865  0.985  0.101  1.0
  O  O28  1  0.168  0.730  0.438  1.0
  O  O29  1  0.533  0.568  0.584  1.0
  O  O30  1  0.821  0.629  0.147  1.0
  O  O31  1  0.589  0.148  0.279  1.0
  O  O32  1  0.315  0.067  0.083  1.0
  O  O33  1  0.046  0.486  0.602  1.0
  O  O34  1  0.288  0.632  0.894  1.0
  O  O35  1  0.174  0.372  0.853  1.0
  O  O36  1  0.980  0.649  0.779  1.0
  O  O37  1  0.337  0.770  0.063  1.0
  O  O38  1  0.400  0.130  0.647  1.0
  O  O39  1  0.409  0.852  0.722  1.0
  O  O40  1  0.949  0.515  0.399  1.0
  O  O41  1  0.348  0.893  0.564  1.0
  O  O42  1  0.134  0.014  0.899  1.0
  O  O43  1  0.185  0.921  0.215  1.0
  O  O44  1  0.463  0.433  0.416  1.0
  O  O45  1  0.184  0.132  0.394  1.0
  O  O46  1  0.016  0.350  0.221  1.0
  O  O47  1  0.650  0.108  0.436  1.0
  O  O48  1  0.804  0.607  0.936  1.0
  O  O49  1  0.814  0.081  0.786  1.0
  O  O50  1  0.317  0.581  0.286  1.0
  O  O51  1  0.598  0.871  0.354  1.0
[/CIF]
.
The material structure described by MgMn2(PO4)2 crystallizes in the triclinic P1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one O(15), one O(17), one O(2), one O(20), one O(23), and one O(29) atom. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(17), one O(20), one O(22), and one O(3) atom. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one O(12), one O(21), one O(25), one O(26), one O(27), and one O(28) atom. In the fourth Mg site, Mg(4) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(13), one O(27), one O(5), and one O(8) atom. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(13), one O(16), one O(23), one O(5), and one O(7) atom. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(14), one O(19), one O(25), one O(28), and one O(4) atom. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(11), one O(18), one O(2), one O(29), and one O(8) atom. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(15), one O(18), one O(29), one O(5), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the fifth Mn site, Mn(5) is bonded in a 5-coordinate geometry to one O(10), one O(21), one O(22), one O(32), and one O(9) atom. In the sixth Mn site, Mn(6) is bonded to one O(11), one O(24), one O(31), and one O(32) atom to form MnO4 tetrahedra that share  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(7)O4 tetrahedra. In the seventh Mn site, Mn(7) is bonded to one O(16), one O(19), one O(30), and one O(6) atom to form MnO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the eighth Mn site, Mn(8) is bonded to one O(22), one O(26), one O(28), one O(3), one O(4), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and corners with two equivalent P(6)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(15), one O(16), one O(17), and one O(29) atom to form PO4 tetrahedra that share corners with two equivalent Mn(4)O6 octahedra and  a cornercorner with one Mn(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-63°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(8)O6 octahedra and  a cornercorner with one Mn(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. In the third P site, P(3) is bonded to one O(1), one O(11), one O(27), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mn(4)O6 octahedra and  a cornercorner with one Mn(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-63°. In the fourth P site, P(4) is bonded to one O(13), one O(18), one O(24), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra and  a cornercorner with one Mn(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. In the fifth P site, P(5) is bonded to one O(12), one O(26), one O(28), and one O(32) atom to form PO4 tetrahedra that share corners with two equivalent Mn(8)O6 octahedra and  a cornercorner with one Mn(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-62°. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(22), and one O(3) atom to form PO4 tetrahedra that share corners with two equivalent Mn(8)O6 octahedra and  a cornercorner with one Mn(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-63°. In the seventh P site, P(7) is bonded to one O(21), one O(25), one O(31), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(8)O6 octahedra and  a cornercorner with one Mn(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. In the eighth P site, P(8) is bonded to one O(2), one O(23), one O(30), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra and  a cornercorner with one Mn(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(4), one Mn(4), and one P(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(3), and one P(8) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(2), one Mn(8), and one P(6) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(8), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(4), one Mn(1), one Mn(4), and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(7) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(4), and one P(8) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mg(4), one Mn(3), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mn(5), one Mn(8), and one P(7) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(2), one Mn(5), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(6), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mg(3), one Mg(4), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mg(4), one Mn(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Mg(2), one Mn(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(7), and one P(1) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Mg(1), one Mg(2), and one P(1) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(4), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(7), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Mg(1), one Mg(2), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a trigonal planar geometry to one Mg(3), one Mn(5), and one P(7) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Mg(2), one Mn(5), one Mn(8), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Mg(1), one Mn(1), and one P(8) atom. In the twenty-fourth O site, O(24) is bonded in a bent 120 degrees geometry to one Mn(6) and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Mg(3), one Mn(2), and one P(7) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Mg(3), one Mn(8), and one P(5) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Mg(3), one Mg(4), and one P(3) atom. In the twenty-eighth O site, O(28) is bonded in a 4-coordinate geometry to one Mg(3), one Mn(2), one Mn(8), and one P(5) atom. In the twenty-ninth O site, O(29) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(3), one Mn(4), and one P(1) atom. In the thirtieth O site, O(30) is bonded in a bent 120 degrees geometry to one Mn(7) and one P(8) atom. In the thirty-first O site, O(31) is bonded in a bent 120 degrees geometry to one Mn(6) and one P(7) atom. In the thirty-second O site, O(32) is bonded in a distorted trigonal planar geometry to one Mn(5), one Mn(6), and one P(5) atom. is represented by the CIF card [CIF]
data_MgMn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.122
_cell_length_b   8.456
_cell_length_c   15.553
_cell_angle_alpha   89.499
_cell_angle_beta   80.491
_cell_angle_gamma   72.383
_symmetry_Int_Tables_number   1
_cell_volume   632.643
_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
  Mg  Mg0  1  0.478  0.809  0.847  1.0
  Mg  Mg1  1  0.133  0.691  0.654  1.0
  Mg  Mg2  1  0.864  0.309  0.347  1.0
  Mg  Mg3  1  0.520  0.190  0.154  1.0
  Mn  Mn4  1  0.237  0.199  0.967  1.0
  Mn  Mn5  1  0.402  0.302  0.533  1.0
  Mn  Mn6  1  0.761  0.801  0.033  1.0
  Mn  Mn7  1  0.497  0.500  0.001  1.0
  Mn  Mn8  1  0.594  0.700  0.467  1.0
  Mn  Mn9  1  0.517  0.750  0.251  1.0
  Mn  Mn10  1  0.479  0.250  0.750  1.0
  Mn  Mn11  1  0.998  0.001  0.500  1.0
  P  P12  1  0.066  0.565  0.862  1.0
  P  P13  1  0.775  0.434  0.618  1.0
  P  P14  1  0.928  0.436  0.138  1.0
  P  P15  1  0.171  0.933  0.118  1.0
  P  P16  1  0.504  0.064  0.362  1.0
  P  P17  1  0.493  0.936  0.638  1.0
  P  P18  1  0.220  0.567  0.383  1.0
  P  P19  1  0.828  0.067  0.883  1.0
  O  O20  1  0.704  0.369  0.108  1.0
  O  O21  1  0.685  0.932  0.916  1.0
  O  O22  1  0.814  0.869  0.607  1.0
  O  O23  1  0.828  0.271  0.562  1.0
  O  O24  1  0.187  0.393  0.063  1.0
  O  O25  1  0.677  0.420  0.715  1.0
  O  O26  1  0.661  0.230  0.938  1.0
  O  O27  1  0.865  0.985  0.101  1.0
  O  O28  1  0.168  0.730  0.438  1.0
  O  O29  1  0.533  0.568  0.584  1.0
  O  O30  1  0.821  0.629  0.147  1.0
  O  O31  1  0.589  0.148  0.279  1.0
  O  O32  1  0.315  0.067  0.083  1.0
  O  O33  1  0.046  0.486  0.602  1.0
  O  O34  1  0.288  0.632  0.894  1.0
  O  O35  1  0.174  0.372  0.853  1.0
  O  O36  1  0.980  0.649  0.779  1.0
  O  O37  1  0.337  0.770  0.063  1.0
  O  O38  1  0.400  0.130  0.647  1.0
  O  O39  1  0.409  0.852  0.722  1.0
  O  O40  1  0.949  0.515  0.399  1.0
  O  O41  1  0.348  0.893  0.564  1.0
  O  O42  1  0.134  0.014  0.899  1.0
  O  O43  1  0.185  0.921  0.215  1.0
  O  O44  1  0.463  0.433  0.416  1.0
  O  O45  1  0.184  0.132  0.394  1.0
  O  O46  1  0.016  0.350  0.221  1.0
  O  O47  1  0.650  0.108  0.436  1.0
  O  O48  1  0.804  0.607  0.936  1.0
  O  O49  1  0.814  0.081  0.786  1.0
  O  O50  1  0.317  0.581  0.286  1.0
  O  O51  1  0.598  0.871  0.354  1.0
[/CIF]
.