data_Sb5(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69
_cell_length_b   8.8
_cell_length_c   8.95
_cell_angle_alpha   104.75
_cell_angle_beta   111.67
_cell_angle_gamma   110.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb5(PO4)6
_chemical_formula_sum   'Sb5 P6 O24'
_cell_volume   532.69
_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
  Sb  Sb0  1  0.96  0.66  0.32  1.0
  Sb  Sb1  1  0.1  0.96  0.17  1.0
  Sb  Sb2  1  0.06  0.06  0.55  1.0
  Sb  Sb3  1  0.55  0.95  0.2  1.0
  Sb  Sb4  1  0.61  0.29  0.69  1.0
  P  P5  1  0.57  0.4  0.71  1.0
  P  P6  1  0.04  0.87  0.0  1.0
  P  P7  1  0.38  0.49  0.85  1.0
  P  P8  1  0.04  0.89  0.34  1.0
  P  P9  1  0.03  0.6  0.81  1.0
  P  P10  1  0.76  0.19  0.63  1.0
  O  O11  1  0.59  0.4  0.55  1.0
  O  O12  1  0.68  0.53  0.24  1.0
  O  O13  1  0.62  0.55  0.54  1.0
  O  O14  1  0.81  0.11  0.47  1.0
  O  O15  1  0.17  0.51  0.87  1.0
  O  O16  1  0.17  0.62  0.39  1.0
  O  O17  1  0.48  0.28  0.9  1.0
  O  O18  1  0.92  0.69  0.87  1.0
  O  O19  1  0.25  0.25  0.92  1.0
  O  O20  1  0.91  0.27  0.99  1.0
  O  O21  1  0.6  0.91  0.53  1.0
  O  O22  1  0.51  0.26  0.3  1.0
  O  O23  1  0.37  0.2  0.82  1.0
  O  O24  1  0.64  0.63  0.65  1.0
  O  O25  1  0.01  0.61  0.5  1.0
  O  O26  1  0.49  0.87  0.38  1.0
  O  O27  1  0.22  0.85  0.17  1.0
  O  O28  1  0.54  0.41  0.3  1.0
  O  O29  1  0.14  0.95  0.44  1.0
  O  O30  1  0.38  0.83  0.62  1.0
  O  O31  1  0.11  0.21  0.85  1.0
  O  O32  1  0.78  0.7  0.93  1.0
  O  O33  1  0.13  0.48  0.06  1.0
  O  O34  1  0.11  0.95  0.36  1.0

data_Sb5(PO4)6
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.69
_cell_length_b   8.8
_cell_length_c   8.95
_cell_angle_alpha   104.75
_cell_angle_beta   111.67
_cell_angle_gamma   110.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb5(PO4)6
_chemical_formula_sum   'Sb5 P6 O24'
_cell_volume   532.69
_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
  Sb  Sb0  1  0.06  0.06  0.55  1.0
  Sb  Sb1  1  0.1  0.96  0.17  1.0
  Sb  Sb2  1  0.55  0.95  0.2  1.0
  Sb  Sb3  1  0.61  0.29  0.69  1.0
  Sb  Sb4  1  0.96  0.66  0.32  1.0
  P  P5  1  0.03  0.6  0.81  1.0
  P  P6  1  0.04  0.89  0.34  1.0
  P  P7  1  0.04  0.87  0.0  1.0
  P  P8  1  0.38  0.49  0.85  1.0
  P  P9  1  0.57  0.4  0.71  1.0
  P  P10  1  0.76  0.19  0.63  1.0
  O  O11  1  0.01  0.61  0.5  1.0
  O  O12  1  0.11  0.21  0.85  1.0
  O  O13  1  0.11  0.95  0.36  1.0
  O  O14  1  0.13  0.48  0.06  1.0
  O  O15  1  0.14  0.95  0.44  1.0
  O  O16  1  0.17  0.51  0.87  1.0
  O  O17  1  0.17  0.62  0.39  1.0
  O  O18  1  0.22  0.85  0.17  1.0
  O  O19  1  0.25  0.25  0.92  1.0
  O  O20  1  0.37  0.2  0.82  1.0
  O  O21  1  0.38  0.83  0.62  1.0
  O  O22  1  0.48  0.28  0.9  1.0
  O  O23  1  0.49  0.87  0.38  1.0
  O  O24  1  0.51  0.26  0.3  1.0
  O  O25  1  0.54  0.41  0.3  1.0
  O  O26  1  0.59  0.4  0.55  1.0
  O  O27  1  0.6  0.91  0.53  1.0
  O  O28  1  0.62  0.55  0.54  1.0
  O  O29  1  0.64  0.63  0.65  1.0
  O  O30  1  0.68  0.53  0.24  1.0
  O  O31  1  0.78  0.7  0.93  1.0
  O  O32  1  0.81  0.11  0.47  1.0
  O  O33  1  0.91  0.27  0.99  1.0
  O  O34  1  0.92  0.69  0.87  1.0

Sb Sb Sb Sb Sb P P P P P P O O O O O O O O O O O O O O O O O O O O O O O O
Sb Sb Sb Sb Sb P P P P P P O O O O O O O O O O O O O O O O O O O O O O O O 0 12 o o o 0 8 + o o 0 25 + o o 0 16 + o o 0 29 + o o 1 6 o o o 1 27 o o o 2 34 o - o 2 29 o - o 2 8 o - o 3 27 o o o 3 26 o o o 3 14 o + o 4 5 o o o 4 10 o o o 6 18 - o - 6 27 o o o 7 15 o o o 7 19 o o o 7 17 o o o 8 34 o o o 9 18 - o o 9 15 o o o 10 21 o - o 10 14 o o o 11 13 o o o 12 28 o o o 13 24 o o o 15 33 o o + 16 25 o o o 16 30 o o o 17 23 o o o 18 32 o o o 19 31 o o o 20 33 + o + 21 26 o o o 21 30 o o o 22 28 o o o 29 34 o o o 
Sb5(PO4)6 crystallizes in the triclinic P1 space group. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one P(4), one O(15), one O(2), and one O(6) atom. The Sb(1)-P(4) bond length is 1.80 Å. The Sb(1)-O(15) bond length is 1.73 Å. The Sb(1)-O(2) bond length is 2.07 Å. The Sb(1)-O(6) bond length is 1.92 Å. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one P(2), one O(17), and one O(24) atom. The Sb(2)-P(2) bond length is 1.34 Å. The Sb(2)-O(17) bond length is 1.73 Å. The Sb(2)-O(24) bond length is 1.67 Å. In the third Sb site, Sb(3) is bonded in a 4-coordinate geometry to one O(13), one O(19), one O(21), and one O(4) atom. The Sb(3)-O(13) bond length is 2.39 Å. The Sb(3)-O(19) bond length is 1.66 Å. The Sb(3)-O(21) bond length is 2.50 Å. The Sb(3)-O(4) bond length is 2.32 Å. In the fourth Sb site, Sb(4) is bonded in a 4-coordinate geometry to one O(12), one O(16), one O(17), and one O(4) atom. The Sb(4)-O(12) bond length is 2.79 Å. The Sb(4)-O(16) bond length is 2.04 Å. The Sb(4)-O(17) bond length is 2.52 Å. The Sb(4)-O(4) bond length is 2.20 Å. In the fifth Sb site, Sb(5) is bonded in a 4-coordinate geometry to one P(1), one P(6), one O(1), and one O(7) atom. The Sb(5)-P(1) bond length is 1.20 Å. The Sb(5)-P(6) bond length is 1.98 Å. The Sb(5)-O(1) bond length is 1.76 Å. The Sb(5)-O(7) bond length is 2.55 Å. There are six inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to one Sb(5), one O(1), one O(14), and one O(22) atom. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(14) bond length is 2.12 Å. The P(1)-O(22) bond length is 2.31 Å. In the second P site, P(2) is bonded in a 4-coordinate geometry to one Sb(2), one O(17), one O(22), and one O(8) atom. The P(2)-O(17) bond length is 1.82 Å. The P(2)-O(22) bond length is 1.92 Å. The P(2)-O(8) bond length is 1.37 Å. In the third P site, P(3) is bonded in a distorted single-bond geometry to one O(5) and one O(9) atom. The P(3)-O(5) bond length is 1.92 Å. The P(3)-O(9) bond length is 2.36 Å. In the fourth P site, P(4) is bonded in a 1-coordinate geometry to one Sb(1), one O(19), and one O(24) atom. The P(4)-O(19) bond length is 0.84 Å. The P(4)-O(24) bond length is 0.59 Å. In the fifth P site, P(5) is bonded in a bent 150 degrees geometry to one O(5) and one O(8) atom. The P(5)-O(5) bond length is 1.65 Å. The P(5)-O(8) bond length is 1.62 Å. In the sixth P site, P(6) is bonded in a 3-coordinate geometry to one Sb(5), one O(11), and one O(4) atom. The P(6)-O(11) bond length is 2.02 Å. The P(6)-O(4) bond length is 1.67 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sb(5), one P(1), and one O(3) atom. The O(1)-O(3) bond length is 1.23 Å. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Sb(1) and one O(18) atom. The O(2)-O(18) bond length is 1.69 Å. In the third O site, O(3) is bonded in a distorted water-like geometry to one O(1), one O(14), and one O(18) atom. The O(3)-O(14) bond length is 0.96 Å. The O(3)-O(18) bond length is 1.87 Å. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Sb(3), one Sb(4), and one P(6) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one P(3), one P(5), and one O(23) atom. The O(5)-O(23) bond length is 1.94 Å. In the sixth O site, O(6) is bonded in a single-bond geometry to one Sb(1) and one O(20) atom. The O(6)-O(20) bond length is 1.95 Å. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Sb(5) and one O(13) atom. The O(7)-O(13) bond length is 0.86 Å. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one P(2), one P(5), and one O(22) atom. The O(8)-O(22) bond length is 1.52 Å. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one P(3), one O(13), and one O(21) atom. The O(9)-O(13) bond length is 1.69 Å. The O(9)-O(21) bond length is 1.02 Å. In the tenth O site, O(10) is bonded in a single-bond geometry to one O(23) atom. The O(10)-O(23) bond length is 1.85 Å. In the eleventh O site, O(11) is bonded in a water-like geometry to one P(6) and one O(16) atom. The O(11)-O(16) bond length is 1.19 Å. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Sb(4) and one O(18) atom. The O(12)-O(18) bond length is 1.19 Å. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Sb(3), one O(7), and one O(9) atom. In the fourteenth O site, O(14) is bonded in an L-shaped geometry to one P(1) and one O(3) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one Sb(1) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Sb(4) and one O(11) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Sb(2), one Sb(4), and one P(2) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one O(12), one O(2), and one O(3) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Sb(3), one P(4), and one O(24) atom. The O(19)-O(24) bond length is 0.63 Å. In the twentieth O site, O(20) is bonded in a single-bond geometry to one O(6) atom. In the twenty-first O site, O(21) is bonded in an L-shaped geometry to one Sb(3) and one O(9) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one P(1), one P(2), and one O(8) atom. In the twenty-third O site, O(23) is bonded in a bent 120 degrees geometry to one O(10) and one O(5) atom. In the twenty-fourth O site, O(24) is bonded in a single-bond geometry to one Sb(2), one P(4), and one O(19) atom.