The material described by MgBi8(PO4)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a single-bond geometry to one Bi(3) and one O(17) atom. There are eight inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to one O(1), one O(13), one O(16), one O(2), one O(23), one O(5), one O(7), and one O(8) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(19), one O(25), one O(26), and one O(4) atom. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one Mg(1), one O(15), one O(18), one O(2), and one O(23) atom. In the fourth Bi site, Bi(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 BiO6 pentagonal pyramids 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 Bi site, Bi(5) is bonded in a 7-coordinate geometry to one O(10), one O(14), one O(21), one O(25), one O(3), one O(32), and one O(9) atom. In the sixth Bi site, Bi(6) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(24), one O(27), and one O(31) atom. 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 to one O(22), one O(26), one O(28), one O(3), one O(4), and one O(9) atom to form BiO6 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 Bi(4)O6 pentagonal pyramids. 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 Bi(8)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. 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 Bi(4)O6 pentagonal pyramids. 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(4)O6 pentagonal pyramid. 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 Bi(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. 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 Bi(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-70°. 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(8)O6 octahedra. The corner-sharing octahedral tilt angles are 36°. 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 Bi(4)O6 pentagonal pyramid. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar 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 3-coordinate 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 distorted bent 120 degrees geometry to one Bi(7) and one P(2) atom. In the seventh O site, O(7) is bonded in a 1-coordinate 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 single-bond geometry to one Bi(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a 2-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 distorted single-bond geometry to one Bi(2), one Bi(5), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Bi(6) 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 L-shaped geometry to one Bi(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Bi(2), one Bi(5), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 1-coordinate geometry to one Bi(3), one Bi(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond 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 trigonal non-coplanar geometry to one Bi(3), one Bi(4), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a 2-coordinate geometry to one Bi(2), one Bi(7), and one P(6) atom. In the twentieth O site, O(20) is bonded in a distorted 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 bent 120 degrees geometry to 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(8) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(3), and one P(8) atom. In the twenty-fourth O site, O(24) is bonded in a bent 120 degrees geometry to one Bi(6) and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Bi(2), one Bi(5), and one P(7) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Bi(2), one Bi(8), and one P(5) atom. In the twenty-seventh O site, O(27) is bonded in a distorted water-like geometry to one Bi(6) and one P(3) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 120 degrees geometry to one Bi(8) and one P(5) atom. In the twenty-ninth O site, O(29) is bonded in a distorted single-bond 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 2-coordinate geometry to one Bi(6) and one P(7) atom. In the thirty-second O site, O(32) is bonded in a 2-coordinate geometry to one Bi(5) and one P(5) atom. is represented by the CIF card [CIF]
data_MgBi8(PO4)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.662
_cell_length_b   9.412
_cell_length_c   17.072
_cell_angle_alpha   90.490
_cell_angle_beta   79.086
_cell_angle_gamma   74.573
_symmetry_Int_Tables_number   1
_cell_volume   859.490
_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  0.017  0.743  0.783  1.0
  Bi  Bi1  1  0.154  0.184  0.022  1.0
  Bi  Bi2  1  0.354  0.316  0.501  1.0
  Bi  Bi3  1  0.825  0.842  0.958  1.0
  Bi  Bi4  1  0.474  0.526  0.022  1.0
  Bi  Bi5  1  0.680  0.662  0.487  1.0
  Bi  Bi6  1  0.600  0.756  0.232  1.0
  Bi  Bi7  1  0.409  0.246  0.755  1.0
  Bi  Bi8  1  0.018  0.993  0.503  1.0
  P  P9  1  0.060  0.494  0.885  1.0
  P  P10  1  0.733  0.370  0.593  1.0
  P  P11  1  0.911  0.486  0.132  1.0
  P  P12  1  0.295  0.899  0.087  1.0
  P  P13  1  0.618  0.983  0.375  1.0
  P  P14  1  0.431  0.996  0.625  1.0
  P  P15  1  0.261  0.627  0.398  1.0
  P  P16  1  0.691  0.160  0.908  1.0
  O  O17  1  0.787  0.385  0.087  1.0
  O  O18  1  0.524  0.049  0.922  1.0
  O  O19  1  0.675  0.913  0.563  1.0
  O  O20  1  0.773  0.248  0.523  1.0
  O  O21  1  0.195  0.408  0.106  1.0
  O  O22  1  0.729  0.305  0.674  1.0
  O  O23  1  0.557  0.293  0.968  1.0
  O  O24  1  0.027  0.981  0.077  1.0
  O  O25  1  0.190  0.749  0.469  1.0
  O  O26  1  0.474  0.478  0.586  1.0
  O  O27  1  0.838  0.645  0.101  1.0
  O  O28  1  0.585  0.999  0.290  1.0
  O  O29  1  0.431  0.021  0.092  1.0
  O  O30  1  0.943  0.449  0.572  1.0
  O  O31  1  0.189  0.578  0.935  1.0
  O  O32  1  0.147  0.324  0.888  1.0
  O  O33  1  0.136  0.526  0.794  1.0
  O  O34  1  0.429  0.795  0.009  1.0
  O  O35  1  0.335  0.164  0.605  1.0
  O  O36  1  0.494  0.004  0.709  1.0
  O  O37  1  0.059  0.540  0.413  1.0
  O  O38  1  0.234  0.913  0.621  1.0
  O  O39  1  0.948  0.077  0.926  1.0
  O  O40  1  0.294  0.800  0.160  1.0
  O  O41  1  0.513  0.520  0.414  1.0
  O  O42  1  0.377  0.076  0.437  1.0
  O  O43  1  0.807  0.505  0.222  1.0
  O  O44  1  0.844  0.030  0.395  1.0
  O  O45  1  0.774  0.558  0.913  1.0
  O  O46  1  0.717  0.201  0.819  1.0
  O  O47  1  0.287  0.689  0.315  1.0
  O  O48  1  0.654  0.812  0.390  1.0
[/CIF]
.
The material described by MgBi8(PO4)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a single-bond geometry to one Bi(3) and one O(17) atom. There are eight inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to one O(1), one O(13), one O(16), one O(2), one O(23), one O(5), one O(7), and one O(8) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(19), one O(25), one O(26), and one O(4) atom. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one Mg(1), one O(15), one O(18), one O(2), and one O(23) atom. In the fourth Bi site, Bi(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 BiO6 pentagonal pyramids 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 Bi site, Bi(5) is bonded in a 7-coordinate geometry to one O(10), one O(14), one O(21), one O(25), one O(3), one O(32), and one O(9) atom. In the sixth Bi site, Bi(6) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(24), one O(27), and one O(31) atom. 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 to one O(22), one O(26), one O(28), one O(3), one O(4), and one O(9) atom to form BiO6 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 Bi(4)O6 pentagonal pyramids. 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 Bi(8)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. 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 Bi(4)O6 pentagonal pyramids. 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(4)O6 pentagonal pyramid. 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 Bi(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. 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 Bi(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-70°. 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(8)O6 octahedra. The corner-sharing octahedral tilt angles are 36°. 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 Bi(4)O6 pentagonal pyramid. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar 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 3-coordinate 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 distorted bent 120 degrees geometry to one Bi(7) and one P(2) atom. In the seventh O site, O(7) is bonded in a 1-coordinate 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 single-bond geometry to one Bi(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a 2-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 distorted single-bond geometry to one Bi(2), one Bi(5), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Bi(6) 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 L-shaped geometry to one Bi(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Bi(2), one Bi(5), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 1-coordinate geometry to one Bi(3), one Bi(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond 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 trigonal non-coplanar geometry to one Bi(3), one Bi(4), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a 2-coordinate geometry to one Bi(2), one Bi(7), and one P(6) atom. In the twentieth O site, O(20) is bonded in a distorted 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 bent 120 degrees geometry to 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(8) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(3), and one P(8) atom. In the twenty-fourth O site, O(24) is bonded in a bent 120 degrees geometry to one Bi(6) and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Bi(2), one Bi(5), and one P(7) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Bi(2), one Bi(8), and one P(5) atom. In the twenty-seventh O site, O(27) is bonded in a distorted water-like geometry to one Bi(6) and one P(3) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 120 degrees geometry to one Bi(8) and one P(5) atom. In the twenty-ninth O site, O(29) is bonded in a distorted single-bond 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 2-coordinate geometry to one Bi(6) and one P(7) atom. In the thirty-second O site, O(32) is bonded in a 2-coordinate geometry to one Bi(5) and one P(5) atom. is represented by the CIF card [CIF]
data_MgBi8(PO4)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.662
_cell_length_b   9.412
_cell_length_c   17.072
_cell_angle_alpha   90.490
_cell_angle_beta   79.086
_cell_angle_gamma   74.573
_symmetry_Int_Tables_number   1
_cell_volume   859.490
_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  0.017  0.743  0.783  1.0
  Bi  Bi1  1  0.154  0.184  0.022  1.0
  Bi  Bi2  1  0.354  0.316  0.501  1.0
  Bi  Bi3  1  0.825  0.842  0.958  1.0
  Bi  Bi4  1  0.474  0.526  0.022  1.0
  Bi  Bi5  1  0.680  0.662  0.487  1.0
  Bi  Bi6  1  0.600  0.756  0.232  1.0
  Bi  Bi7  1  0.409  0.246  0.755  1.0
  Bi  Bi8  1  0.018  0.993  0.503  1.0
  P  P9  1  0.060  0.494  0.885  1.0
  P  P10  1  0.733  0.370  0.593  1.0
  P  P11  1  0.911  0.486  0.132  1.0
  P  P12  1  0.295  0.899  0.087  1.0
  P  P13  1  0.618  0.983  0.375  1.0
  P  P14  1  0.431  0.996  0.625  1.0
  P  P15  1  0.261  0.627  0.398  1.0
  P  P16  1  0.691  0.160  0.908  1.0
  O  O17  1  0.787  0.385  0.087  1.0
  O  O18  1  0.524  0.049  0.922  1.0
  O  O19  1  0.675  0.913  0.563  1.0
  O  O20  1  0.773  0.248  0.523  1.0
  O  O21  1  0.195  0.408  0.106  1.0
  O  O22  1  0.729  0.305  0.674  1.0
  O  O23  1  0.557  0.293  0.968  1.0
  O  O24  1  0.027  0.981  0.077  1.0
  O  O25  1  0.190  0.749  0.469  1.0
  O  O26  1  0.474  0.478  0.586  1.0
  O  O27  1  0.838  0.645  0.101  1.0
  O  O28  1  0.585  0.999  0.290  1.0
  O  O29  1  0.431  0.021  0.092  1.0
  O  O30  1  0.943  0.449  0.572  1.0
  O  O31  1  0.189  0.578  0.935  1.0
  O  O32  1  0.147  0.324  0.888  1.0
  O  O33  1  0.136  0.526  0.794  1.0
  O  O34  1  0.429  0.795  0.009  1.0
  O  O35  1  0.335  0.164  0.605  1.0
  O  O36  1  0.494  0.004  0.709  1.0
  O  O37  1  0.059  0.540  0.413  1.0
  O  O38  1  0.234  0.913  0.621  1.0
  O  O39  1  0.948  0.077  0.926  1.0
  O  O40  1  0.294  0.800  0.160  1.0
  O  O41  1  0.513  0.520  0.414  1.0
  O  O42  1  0.377  0.076  0.437  1.0
  O  O43  1  0.807  0.505  0.222  1.0
  O  O44  1  0.844  0.030  0.395  1.0
  O  O45  1  0.774  0.558  0.913  1.0
  O  O46  1  0.717  0.201  0.819  1.0
  O  O47  1  0.287  0.689  0.315  1.0
  O  O48  1  0.654  0.812  0.390  1.0
[/CIF]
.