The compound described by MgV4Sb2(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(15), one O(17), one O(19), and one O(23) atom to form distorted MgO4 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(6)O4 tetrahedra. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(14), one O(20), one O(3), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(1)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 V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(21), one O(23), one O(24), and one O(5) atom. In the fourth V site, V(4) is bonded to one O(11), one O(13), one O(16), one O(18), one O(22), and one O(5) atom to form distorted VO6 octahedra that share  a cornercorner with one P(1)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. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one O(11), one O(18), one O(22), and one O(24) atom. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one O(10), one O(6), and one O(8) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-36°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-34°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-53°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-43°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-54°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one P(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one P(5) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(3), one V(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(2), one Sb(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(2), one Sb(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one V(2), one Sb(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(4), one Sb(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one V(3), one V(4), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Mg(1) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one V(3), one V(4), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a linear geometry to one Mg(1) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one V(4), one Sb(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Mg(1) and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one V(1) and one P(6) atom. In the twenty-first O site, O(21) is bonded in an L-shaped geometry to one V(3) and one P(2) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one V(4), one Sb(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a T-shaped geometry to one Mg(1), one V(3), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one V(3), one Sb(1), and one P(1) atom. is represented by the CIF file [CIF]
data_MgV4Sb2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.511
_cell_length_b   9.796
_cell_length_c   9.202
_cell_angle_alpha   54.142
_cell_angle_beta   55.723
_cell_angle_gamma   54.654
_symmetry_Int_Tables_number   1
_cell_volume   533.166
_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  0.607  0.564  0.667  1.0
  V  V1  1  0.144  0.153  0.158  1.0
  V  V2  1  0.350  0.327  0.338  1.0
  V  V3  1  0.728  0.768  0.697  1.0
  V  V4  1  0.850  0.850  0.853  1.0
  Sb  Sb5  1  0.973  0.941  0.017  1.0
  Sb  Sb6  1  0.473  0.472  0.451  1.0
  P  P7  1  0.067  0.762  0.421  1.0
  P  P8  1  0.441  0.066  0.757  1.0
  P  P9  1  0.748  0.456  0.025  1.0
  P  P10  1  0.227  0.526  0.972  1.0
  P  P11  1  0.538  0.958  0.268  1.0
  P  P12  1  0.968  0.226  0.546  1.0
  O  O13  1  0.125  0.266  0.502  1.0
  O  O14  1  0.305  0.492  0.103  1.0
  O  O15  1  0.154  0.900  0.256  1.0
  O  O16  1  0.529  0.111  0.288  1.0
  O  O17  1  0.996  0.754  0.622  1.0
  O  O18  1  0.228  0.565  0.424  1.0
  O  O19  1  0.281  0.144  0.903  1.0
  O  O20  1  0.431  0.241  0.556  1.0
  O  O21  1  0.128  0.405  0.057  1.0
  O  O22  1  0.564  0.434  0.209  1.0
  O  O23  1  0.073  0.726  0.947  1.0
  O  O24  1  0.396  0.023  0.192  1.0
  O  O25  1  0.636  0.010  0.743  1.0
  O  O26  1  0.906  0.282  0.078  1.0
  O  O27  1  0.378  0.526  0.779  1.0
  O  O28  1  0.746  0.635  0.984  1.0
  O  O29  1  0.550  0.785  0.445  1.0
  O  O30  1  0.735  0.919  0.098  1.0
  O  O31  1  0.786  0.388  0.552  1.0
  O  O32  1  0.006  0.147  0.419  1.0
  O  O33  1  0.437  0.915  0.753  1.0
  O  O34  1  0.937  0.067  0.756  1.0
  O  O35  1  0.719  0.496  0.851  1.0
  O  O36  1  0.911  0.777  0.394  1.0
[/CIF]
.
The compound described by MgV4Sb2(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(15), one O(17), one O(19), and one O(23) atom to form distorted MgO4 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(6)O4 tetrahedra. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(14), one O(20), one O(3), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(1)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 V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(21), one O(23), one O(24), and one O(5) atom. In the fourth V site, V(4) is bonded to one O(11), one O(13), one O(16), one O(18), one O(22), and one O(5) atom to form distorted VO6 octahedra that share  a cornercorner with one P(1)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. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one O(11), one O(18), one O(22), and one O(24) atom. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one O(10), one O(6), and one O(8) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-36°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-34°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-53°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-43°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-54°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one P(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one P(5) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(3), one V(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(2), one Sb(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(2), one Sb(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one V(2), one Sb(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(4), one Sb(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one V(3), one V(4), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Mg(1) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one V(3), one V(4), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a linear geometry to one Mg(1) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one V(4), one Sb(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Mg(1) and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one V(1) and one P(6) atom. In the twenty-first O site, O(21) is bonded in an L-shaped geometry to one V(3) and one P(2) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one V(4), one Sb(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a T-shaped geometry to one Mg(1), one V(3), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one V(3), one Sb(1), and one P(1) atom. is represented by the CIF file [CIF]
data_MgV4Sb2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.511
_cell_length_b   9.796
_cell_length_c   9.202
_cell_angle_alpha   54.142
_cell_angle_beta   55.723
_cell_angle_gamma   54.654
_symmetry_Int_Tables_number   1
_cell_volume   533.166
_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  0.607  0.564  0.667  1.0
  V  V1  1  0.144  0.153  0.158  1.0
  V  V2  1  0.350  0.327  0.338  1.0
  V  V3  1  0.728  0.768  0.697  1.0
  V  V4  1  0.850  0.850  0.853  1.0
  Sb  Sb5  1  0.973  0.941  0.017  1.0
  Sb  Sb6  1  0.473  0.472  0.451  1.0
  P  P7  1  0.067  0.762  0.421  1.0
  P  P8  1  0.441  0.066  0.757  1.0
  P  P9  1  0.748  0.456  0.025  1.0
  P  P10  1  0.227  0.526  0.972  1.0
  P  P11  1  0.538  0.958  0.268  1.0
  P  P12  1  0.968  0.226  0.546  1.0
  O  O13  1  0.125  0.266  0.502  1.0
  O  O14  1  0.305  0.492  0.103  1.0
  O  O15  1  0.154  0.900  0.256  1.0
  O  O16  1  0.529  0.111  0.288  1.0
  O  O17  1  0.996  0.754  0.622  1.0
  O  O18  1  0.228  0.565  0.424  1.0
  O  O19  1  0.281  0.144  0.903  1.0
  O  O20  1  0.431  0.241  0.556  1.0
  O  O21  1  0.128  0.405  0.057  1.0
  O  O22  1  0.564  0.434  0.209  1.0
  O  O23  1  0.073  0.726  0.947  1.0
  O  O24  1  0.396  0.023  0.192  1.0
  O  O25  1  0.636  0.010  0.743  1.0
  O  O26  1  0.906  0.282  0.078  1.0
  O  O27  1  0.378  0.526  0.779  1.0
  O  O28  1  0.746  0.635  0.984  1.0
  O  O29  1  0.550  0.785  0.445  1.0
  O  O30  1  0.735  0.919  0.098  1.0
  O  O31  1  0.786  0.388  0.552  1.0
  O  O32  1  0.006  0.147  0.419  1.0
  O  O33  1  0.437  0.915  0.753  1.0
  O  O34  1  0.937  0.067  0.756  1.0
  O  O35  1  0.719  0.496  0.851  1.0
  O  O36  1  0.911  0.777  0.394  1.0
[/CIF]
.