The material described by MgBi8(PO4)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to one Bi(5), one O(10), one O(14), and one O(17) atom. There are eight inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(16), one O(2), one O(23), one O(5), and one O(7) atom. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(10), one O(14), one O(19), one O(21), one O(25), one O(26), and one O(4) atom. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(15), one O(18), one O(2), and one O(8) atom. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to one O(1), one O(15), one O(18), one O(29), one O(5), and one O(7) atom. In the fifth Bi site, Bi(5) is bonded in a 6-coordinate geometry to one Mg(1), one O(14), one O(21), one O(22), one O(3), and one O(9) atom. In the sixth Bi site, Bi(6) is bonded to one O(12), one O(24), one O(27), one O(31), and one O(32) atom to form distorted BiO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  an edgeedge with one P(5)O4 tetrahedra. In the seventh Bi site, Bi(7) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(19), one O(20), one O(30), and one O(6) atom. In the eighth Bi site, Bi(8) is bonded in a 6-coordinate geometry to one O(22), one O(28), one O(3), one O(32), one O(4), and one O(9) atom. There are eight inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(15), one O(16), one O(17), and one O(29) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(14), one O(4), and one O(6) atom. 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  a cornercorner with one Bi(6)O5 trigonal bipyramid. 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 Bi(6)O5 trigonal bipyramid. 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  an edgeedge with one Bi(6)O5 trigonal bipyramid. In the sixth P site, P(6) is bonded in a tetrahedral geometry to one O(19), one O(20), one O(22), and one O(3) atom. 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 Bi(6)O5 trigonal bipyramid. In the eighth P site, P(8) is bonded in a tetrahedral geometry to one O(2), one O(23), one O(30), and one O(7) atom. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Bi(1), one Bi(4), and one P(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(3), and one P(8) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Bi(5), one Bi(8), and one P(6) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Bi(2), one Bi(8), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(4), and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Bi(7) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(4), and one P(8) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Bi(3) and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Bi(5), one Bi(8), and one P(7) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one Bi(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Bi(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Bi(6) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(3), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Mg(1), one Bi(2), one Bi(5), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Bi(3), one Bi(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a 1-coordinate geometry to one Bi(1), one Bi(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 Bi(7), and one P(1) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Bi(3), one Bi(4), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a single-bond geometry to one Bi(2), one Bi(7), and one P(6) atom. In the twentieth O site, O(20) is bonded in a water-like geometry to one Bi(7) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a distorted single-bond geometry to one Bi(2), one Bi(5), and one P(7) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Bi(5), one Bi(8), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(8) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Bi(6) and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a distorted water-like geometry to one Bi(2) and one P(7) atom. In the twenty-sixth O site, O(26) is bonded in a 2-coordinate geometry to one Bi(2) and one P(5) atom. In the twenty-seventh O site, O(27) is bonded in a distorted bent 120 degrees geometry to one Bi(6) and one P(3) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one Bi(8) and one P(5) atom. In the twenty-ninth O site, O(29) is bonded in a distorted bent 120 degrees geometry to one Bi(4) and one P(1) atom. In the thirtieth O site, O(30) is bonded in a bent 120 degrees geometry to one Bi(7) and one P(8) atom. In the thirty-first O site, O(31) is bonded in a bent 120 degrees geometry to one Bi(6) and one P(7) atom. In the thirty-second O site, O(32) is bonded in a 3-coordinate geometry to one Bi(6), one Bi(8), and one P(5) atom. is represented by the CIF file [CIF]
data_MgBi8(PO4)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.549
_cell_length_b   9.946
_cell_length_c   16.902
_cell_angle_alpha   91.370
_cell_angle_beta   83.506
_cell_angle_gamma   71.379
_symmetry_Int_Tables_number   1
_cell_volume   876.438
_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  0.070  0.556  0.667  1.0
  Bi  Bi1  1  0.202  0.206  0.006  1.0
  Bi  Bi2  1  0.339  0.341  0.487  1.0
  Bi  Bi3  1  0.808  0.835  0.004  1.0
  Bi  Bi4  1  0.447  0.518  0.996  1.0
  Bi  Bi5  1  0.747  0.709  0.545  1.0
  Bi  Bi6  1  0.572  0.748  0.273  1.0
  Bi  Bi7  1  0.426  0.230  0.752  1.0
  Bi  Bi8  1  0.076  0.988  0.487  1.0
  P  P9  1  0.995  0.500  0.868  1.0
  P  P10  1  0.718  0.356  0.605  1.0
  P  P11  1  0.940  0.514  0.115  1.0
  P  P12  1  0.288  0.875  0.100  1.0
  P  P13  1  0.572  0.017  0.365  1.0
  P  P14  1  0.476  0.009  0.623  1.0
  P  P15  1  0.227  0.619  0.411  1.0
  P  P16  1  0.732  0.141  0.912  1.0
  O  O17  1  0.800  0.447  0.057  1.0
  O  O18  1  0.558  0.044  0.923  1.0
  O  O19  1  0.740  0.946  0.567  1.0
  O  O20  1  0.759  0.265  0.525  1.0
  O  O21  1  0.219  0.407  0.100  1.0
  O  O22  1  0.748  0.264  0.678  1.0
  O  O23  1  0.585  0.267  0.976  1.0
  O  O24  1  0.007  0.938  0.086  1.0
  O  O25  1  0.118  0.753  0.475  1.0
  O  O26  1  0.438  0.464  0.613  1.0
  O  O27  1  0.959  0.661  0.087  1.0
  O  O28  1  0.589  0.982  0.275  1.0
  O  O29  1  0.431  0.988  0.084  1.0
  O  O30  1  0.923  0.432  0.601  1.0
  O  O31  1  0.067  0.616  0.915  1.0
  O  O32  1  0.151  0.348  0.895  1.0
  O  O33  1  0.084  0.498  0.777  1.0
  O  O34  1  0.444  0.754  0.032  1.0
  O  O35  1  0.342  0.166  0.606  1.0
  O  O36  1  0.530  0.004  0.712  1.0
  O  O37  1  0.030  0.538  0.428  1.0
  O  O38  1  0.325  0.908  0.605  1.0
  O  O39  1  0.003  0.069  0.933  1.0
  O  O40  1  0.312  0.816  0.183  1.0
  O  O41  1  0.486  0.515  0.430  1.0
  O  O42  1  0.361  0.160  0.398  1.0
  O  O43  1  0.808  0.534  0.200  1.0
  O  O44  1  0.835  0.015  0.388  1.0
  O  O45  1  0.703  0.527  0.884  1.0
  O  O46  1  0.742  0.191  0.827  1.0
  O  O47  1  0.244  0.675  0.327  1.0
  O  O48  1  0.479  0.895  0.406  1.0
[/CIF]
.
The material described by MgBi8(PO4)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to one Bi(5), one O(10), one O(14), and one O(17) atom. There are eight inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(16), one O(2), one O(23), one O(5), and one O(7) atom. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(10), one O(14), one O(19), one O(21), one O(25), one O(26), and one O(4) atom. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(15), one O(18), one O(2), and one O(8) atom. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to one O(1), one O(15), one O(18), one O(29), one O(5), and one O(7) atom. In the fifth Bi site, Bi(5) is bonded in a 6-coordinate geometry to one Mg(1), one O(14), one O(21), one O(22), one O(3), and one O(9) atom. In the sixth Bi site, Bi(6) is bonded to one O(12), one O(24), one O(27), one O(31), and one O(32) atom to form distorted BiO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  an edgeedge with one P(5)O4 tetrahedra. In the seventh Bi site, Bi(7) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(19), one O(20), one O(30), and one O(6) atom. In the eighth Bi site, Bi(8) is bonded in a 6-coordinate geometry to one O(22), one O(28), one O(3), one O(32), one O(4), and one O(9) atom. There are eight inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(15), one O(16), one O(17), and one O(29) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(14), one O(4), and one O(6) atom. 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  a cornercorner with one Bi(6)O5 trigonal bipyramid. 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 Bi(6)O5 trigonal bipyramid. 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  an edgeedge with one Bi(6)O5 trigonal bipyramid. In the sixth P site, P(6) is bonded in a tetrahedral geometry to one O(19), one O(20), one O(22), and one O(3) atom. 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 Bi(6)O5 trigonal bipyramid. In the eighth P site, P(8) is bonded in a tetrahedral geometry to one O(2), one O(23), one O(30), and one O(7) atom. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Bi(1), one Bi(4), and one P(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(3), and one P(8) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Bi(5), one Bi(8), and one P(6) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Bi(2), one Bi(8), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(4), and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Bi(7) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(4), and one P(8) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Bi(3) and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Bi(5), one Bi(8), and one P(7) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one Bi(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Bi(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Bi(6) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(3), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Mg(1), one Bi(2), one Bi(5), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Bi(3), one Bi(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a 1-coordinate geometry to one Bi(1), one Bi(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 Bi(7), and one P(1) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Bi(3), one Bi(4), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a single-bond geometry to one Bi(2), one Bi(7), and one P(6) atom. In the twentieth O site, O(20) is bonded in a water-like geometry to one Bi(7) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a distorted single-bond geometry to one Bi(2), one Bi(5), and one P(7) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Bi(5), one Bi(8), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(8) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Bi(6) and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a distorted water-like geometry to one Bi(2) and one P(7) atom. In the twenty-sixth O site, O(26) is bonded in a 2-coordinate geometry to one Bi(2) and one P(5) atom. In the twenty-seventh O site, O(27) is bonded in a distorted bent 120 degrees geometry to one Bi(6) and one P(3) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one Bi(8) and one P(5) atom. In the twenty-ninth O site, O(29) is bonded in a distorted bent 120 degrees geometry to one Bi(4) and one P(1) atom. In the thirtieth O site, O(30) is bonded in a bent 120 degrees geometry to one Bi(7) and one P(8) atom. In the thirty-first O site, O(31) is bonded in a bent 120 degrees geometry to one Bi(6) and one P(7) atom. In the thirty-second O site, O(32) is bonded in a 3-coordinate geometry to one Bi(6), one Bi(8), and one P(5) atom. is represented by the CIF file [CIF]
data_MgBi8(PO4)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.549
_cell_length_b   9.946
_cell_length_c   16.902
_cell_angle_alpha   91.370
_cell_angle_beta   83.506
_cell_angle_gamma   71.379
_symmetry_Int_Tables_number   1
_cell_volume   876.438
_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  0.070  0.556  0.667  1.0
  Bi  Bi1  1  0.202  0.206  0.006  1.0
  Bi  Bi2  1  0.339  0.341  0.487  1.0
  Bi  Bi3  1  0.808  0.835  0.004  1.0
  Bi  Bi4  1  0.447  0.518  0.996  1.0
  Bi  Bi5  1  0.747  0.709  0.545  1.0
  Bi  Bi6  1  0.572  0.748  0.273  1.0
  Bi  Bi7  1  0.426  0.230  0.752  1.0
  Bi  Bi8  1  0.076  0.988  0.487  1.0
  P  P9  1  0.995  0.500  0.868  1.0
  P  P10  1  0.718  0.356  0.605  1.0
  P  P11  1  0.940  0.514  0.115  1.0
  P  P12  1  0.288  0.875  0.100  1.0
  P  P13  1  0.572  0.017  0.365  1.0
  P  P14  1  0.476  0.009  0.623  1.0
  P  P15  1  0.227  0.619  0.411  1.0
  P  P16  1  0.732  0.141  0.912  1.0
  O  O17  1  0.800  0.447  0.057  1.0
  O  O18  1  0.558  0.044  0.923  1.0
  O  O19  1  0.740  0.946  0.567  1.0
  O  O20  1  0.759  0.265  0.525  1.0
  O  O21  1  0.219  0.407  0.100  1.0
  O  O22  1  0.748  0.264  0.678  1.0
  O  O23  1  0.585  0.267  0.976  1.0
  O  O24  1  0.007  0.938  0.086  1.0
  O  O25  1  0.118  0.753  0.475  1.0
  O  O26  1  0.438  0.464  0.613  1.0
  O  O27  1  0.959  0.661  0.087  1.0
  O  O28  1  0.589  0.982  0.275  1.0
  O  O29  1  0.431  0.988  0.084  1.0
  O  O30  1  0.923  0.432  0.601  1.0
  O  O31  1  0.067  0.616  0.915  1.0
  O  O32  1  0.151  0.348  0.895  1.0
  O  O33  1  0.084  0.498  0.777  1.0
  O  O34  1  0.444  0.754  0.032  1.0
  O  O35  1  0.342  0.166  0.606  1.0
  O  O36  1  0.530  0.004  0.712  1.0
  O  O37  1  0.030  0.538  0.428  1.0
  O  O38  1  0.325  0.908  0.605  1.0
  O  O39  1  0.003  0.069  0.933  1.0
  O  O40  1  0.312  0.816  0.183  1.0
  O  O41  1  0.486  0.515  0.430  1.0
  O  O42  1  0.361  0.160  0.398  1.0
  O  O43  1  0.808  0.534  0.200  1.0
  O  O44  1  0.835  0.015  0.388  1.0
  O  O45  1  0.703  0.527  0.884  1.0
  O  O46  1  0.742  0.191  0.827  1.0
  O  O47  1  0.244  0.675  0.327  1.0
  O  O48  1  0.479  0.895  0.406  1.0
[/CIF]
.