The compound described by KTb(PO3)4 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(6), and one O(7) atom. Tb(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(6), and one O(7) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(5), one O(6), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(12), one O(4), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(2), one O(7), one O(8), and one O(9) atom to form corner-sharing PO4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(11) is bonded in a distorted single-bond geometry to one K(1), one Tb(1), and one P(3) atom. In the second O site, O(12) is bonded in a 2-coordinate geometry to one K(1), one Tb(1), and one P(3) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one Tb(1), and one P(2) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Tb(1), and one P(4) atom. In the fifth O site, O(3) is bonded in a distorted single-bond geometry to one K(1), one Tb(1), and one P(2) atom. In the sixth O site, O(4) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the seventh O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the eighth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Tb(1), and one P(1) atom. In the ninth O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one Tb(1), and one P(4) atom. In the tenth O site, O(8) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the eleventh O site, O(9) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. In the twelfth O site, O(10) is bonded in a 3-coordinate geometry to one K(1), one Tb(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KTb(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.450
_cell_length_b   7.356
_cell_length_c   7.976
_cell_angle_alpha   88.495
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   495.674
_cell_formula_units_Z   2
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
  K  K0  1  0.938  0.733  0.717  1.0
  K  K1  1  0.438  0.267  0.283  1.0
  Tb  Tb2  1  0.250  0.762  0.242  1.0
  Tb  Tb3  1  0.750  0.238  0.758  1.0
  P  P4  1  0.902  0.005  0.382  1.0
  P  P5  1  0.402  0.995  0.618  1.0
  P  P6  1  0.999  0.387  0.397  1.0
  P  P7  1  0.499  0.613  0.603  1.0
  P  P8  1  0.876  0.566  0.092  1.0
  P  P9  1  0.376  0.434  0.908  1.0
  P  P10  1  0.669  0.902  0.099  1.0
  P  P11  1  0.169  0.098  0.901  1.0
  O  O12  1  0.939  0.392  0.574  1.0
  O  O13  1  0.439  0.608  0.426  1.0
  O  O14  1  0.700  0.981  0.926  1.0
  O  O15  1  0.200  0.019  0.074  1.0
  O  O16  1  0.153  0.476  0.353  1.0
  O  O17  1  0.653  0.524  0.647  1.0
  O  O18  1  0.861  0.465  0.274  1.0
  O  O19  1  0.361  0.535  0.726  1.0
  O  O20  1  0.012  0.179  0.339  1.0
  O  O21  1  0.512  0.821  0.661  1.0
  O  O22  1  0.806  0.035  0.537  1.0
  O  O23  1  0.306  0.965  0.463  1.0
  O  O24  1  0.006  0.091  0.828  1.0
  O  O25  1  0.506  0.909  0.172  1.0
  O  O26  1  0.221  0.308  0.893  1.0
  O  O27  1  0.721  0.692  0.107  1.0
  O  O28  1  0.288  0.990  0.779  1.0
  O  O29  1  0.788  0.010  0.221  1.0
  O  O30  1  0.507  0.160  0.617  1.0
  O  O31  1  0.007  0.840  0.383  1.0
  O  O32  1  0.523  0.321  0.928  1.0
  O  O33  1  0.023  0.679  0.072  1.0
  O  O34  1  0.346  0.568  0.043  1.0
  O  O35  1  0.846  0.432  0.957  1.0
[/CIF]
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The compound described by KTb(PO3)4 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(6), and one O(7) atom. Tb(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(6), and one O(7) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(5), one O(6), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(12), one O(4), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(2), one O(7), one O(8), and one O(9) atom to form corner-sharing PO4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(11) is bonded in a distorted single-bond geometry to one K(1), one Tb(1), and one P(3) atom. In the second O site, O(12) is bonded in a 2-coordinate geometry to one K(1), one Tb(1), and one P(3) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one Tb(1), and one P(2) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Tb(1), and one P(4) atom. In the fifth O site, O(3) is bonded in a distorted single-bond geometry to one K(1), one Tb(1), and one P(2) atom. In the sixth O site, O(4) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the seventh O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the eighth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Tb(1), and one P(1) atom. In the ninth O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one Tb(1), and one P(4) atom. In the tenth O site, O(8) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the eleventh O site, O(9) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. In the twelfth O site, O(10) is bonded in a 3-coordinate geometry to one K(1), one Tb(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KTb(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.450
_cell_length_b   7.356
_cell_length_c   7.976
_cell_angle_alpha   88.495
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   495.674
_cell_formula_units_Z   2
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
  K  K0  1  0.938  0.733  0.717  1.0
  K  K1  1  0.438  0.267  0.283  1.0
  Tb  Tb2  1  0.250  0.762  0.242  1.0
  Tb  Tb3  1  0.750  0.238  0.758  1.0
  P  P4  1  0.902  0.005  0.382  1.0
  P  P5  1  0.402  0.995  0.618  1.0
  P  P6  1  0.999  0.387  0.397  1.0
  P  P7  1  0.499  0.613  0.603  1.0
  P  P8  1  0.876  0.566  0.092  1.0
  P  P9  1  0.376  0.434  0.908  1.0
  P  P10  1  0.669  0.902  0.099  1.0
  P  P11  1  0.169  0.098  0.901  1.0
  O  O12  1  0.939  0.392  0.574  1.0
  O  O13  1  0.439  0.608  0.426  1.0
  O  O14  1  0.700  0.981  0.926  1.0
  O  O15  1  0.200  0.019  0.074  1.0
  O  O16  1  0.153  0.476  0.353  1.0
  O  O17  1  0.653  0.524  0.647  1.0
  O  O18  1  0.861  0.465  0.274  1.0
  O  O19  1  0.361  0.535  0.726  1.0
  O  O20  1  0.012  0.179  0.339  1.0
  O  O21  1  0.512  0.821  0.661  1.0
  O  O22  1  0.806  0.035  0.537  1.0
  O  O23  1  0.306  0.965  0.463  1.0
  O  O24  1  0.006  0.091  0.828  1.0
  O  O25  1  0.506  0.909  0.172  1.0
  O  O26  1  0.221  0.308  0.893  1.0
  O  O27  1  0.721  0.692  0.107  1.0
  O  O28  1  0.288  0.990  0.779  1.0
  O  O29  1  0.788  0.010  0.221  1.0
  O  O30  1  0.507  0.160  0.617  1.0
  O  O31  1  0.007  0.840  0.383  1.0
  O  O32  1  0.523  0.321  0.928  1.0
  O  O33  1  0.023  0.679  0.072  1.0
  O  O34  1  0.346  0.568  0.043  1.0
  O  O35  1  0.846  0.432  0.957  1.0
[/CIF]
.