The compound described by K2MgFe4P6(O4F3)4 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 3-coordinate geometry to one O(2), one F(4), and one F(5) atom. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent F(3) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(6), one O(8), one F(1), and one F(2) atom to form FeO4F2 octahedra that share  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one Fe(3)O4F2 octahedra,  a cornercorner with one P(3)O2F2 tetrahedra, corners with two equivalent P(1)O3F tetrahedra, and  a cornercorner with one P(2)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 30-33°. In the second Fe site, Fe(2) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent F(2) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(1)O4F2 octahedra, corners with two equivalent P(3)O2F2 tetrahedra, and corners with two equivalent P(2)O3F trigonal pyramids. The corner-sharing octahedral tilt angles are 30°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(1)O4F2 octahedra, corners with two equivalent P(1)O3F tetrahedra, and corners with two equivalent P(2)O3F trigonal pyramids. The corner-sharing octahedral tilt angles are 33°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(8), and one F(5) atom to form PO3F tetrahedra that share  a cornercorner with one Fe(3)O4F2 octahedra and corners with two equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 27-39°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one F(3) atom to form distorted PO3F trigonal pyramids that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra, and  a cornercorner with one Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 38-50°. In the third P site, P(3) is bonded to one O(6), one O(7), one F(4), and one F(6) atom to form PO2F2 tetrahedra that share  a cornercorner with one Fe(1)O4F2 octahedra and  a cornercorner with one Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-47°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Fe(3), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Fe(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. In the third F site, F(3) is bonded in a 1-coordinate geometry to one Mg(1) and one P(2) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one K(1) and one P(3) atom. In the fifth F site, F(5) is bonded in a distorted linear geometry to one K(1) and one P(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one P(3) atom. is represented by the CIF file [CIF]
data_K2MgFe4P6(O4F3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.650
_cell_length_b   7.739
_cell_length_c   10.817
_cell_angle_alpha   100.180
_cell_angle_beta   107.526
_cell_angle_gamma   89.941
_symmetry_Int_Tables_number   1
_cell_volume   600.149
_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
  K  K0  1  0.789  0.111  0.772  1.0
  K  K1  1  0.211  0.889  0.228  1.0
  Mg  Mg2  1  0.500  0.000  0.000  1.0
  Fe  Fe3  1  0.660  0.333  0.338  1.0
  Fe  Fe4  1  0.340  0.667  0.662  1.0
  Fe  Fe5  1  0.500  0.500  0.000  1.0
  Fe  Fe6  1  0.000  0.000  0.500  1.0
  P  P7  1  0.662  0.734  0.519  1.0
  P  P8  1  0.338  0.266  0.481  1.0
  P  P9  1  0.290  0.093  0.809  1.0
  P  P10  1  0.710  0.907  0.191  1.0
  P  P11  1  0.070  0.592  0.842  1.0
  P  P12  1  0.930  0.408  0.158  1.0
  O  O13  1  0.715  0.559  0.457  1.0
  O  O14  1  0.285  0.441  0.543  1.0
  O  O15  1  0.812  0.880  0.565  1.0
  O  O16  1  0.188  0.120  0.435  1.0
  O  O17  1  0.608  0.078  0.204  1.0
  O  O18  1  0.392  0.922  0.796  1.0
  O  O19  1  0.444  0.223  0.906  1.0
  O  O20  1  0.556  0.777  0.094  1.0
  O  O21  1  0.861  0.856  0.298  1.0
  O  O22  1  0.139  0.144  0.702  1.0
  O  O23  1  0.882  0.357  0.271  1.0
  O  O24  1  0.118  0.643  0.729  1.0
  O  O25  1  0.790  0.458  0.042  1.0
  O  O26  1  0.210  0.542  0.958  1.0
  O  O27  1  0.430  0.274  0.376  1.0
  O  O28  1  0.570  0.726  0.624  1.0
  F  F29  1  0.812  0.205  0.464  1.0
  F  F30  1  0.188  0.795  0.536  1.0
  F  F31  1  0.514  0.419  0.176  1.0
  F  F32  1  0.486  0.581  0.824  1.0
  F  F33  1  0.807  0.955  0.079  1.0
  F  F34  1  0.193  0.045  0.921  1.0
  F  F35  1  0.907  0.447  0.785  1.0
  F  F36  1  0.093  0.553  0.215  1.0
  F  F37  1  0.494  0.205  0.601  1.0
  F  F38  1  0.506  0.795  0.399  1.0
  F  F39  1  0.040  0.255  0.103  1.0
  F  F40  1  0.960  0.745  0.897  1.0
[/CIF]
.
The compound described by K2MgFe4P6(O4F3)4 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 3-coordinate geometry to one O(2), one F(4), and one F(5) atom. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent F(3) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(6), one O(8), one F(1), and one F(2) atom to form FeO4F2 octahedra that share  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one Fe(3)O4F2 octahedra,  a cornercorner with one P(3)O2F2 tetrahedra, corners with two equivalent P(1)O3F tetrahedra, and  a cornercorner with one P(2)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 30-33°. In the second Fe site, Fe(2) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent F(2) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(1)O4F2 octahedra, corners with two equivalent P(3)O2F2 tetrahedra, and corners with two equivalent P(2)O3F trigonal pyramids. The corner-sharing octahedral tilt angles are 30°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(1)O4F2 octahedra, corners with two equivalent P(1)O3F tetrahedra, and corners with two equivalent P(2)O3F trigonal pyramids. The corner-sharing octahedral tilt angles are 33°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(8), and one F(5) atom to form PO3F tetrahedra that share  a cornercorner with one Fe(3)O4F2 octahedra and corners with two equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 27-39°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one F(3) atom to form distorted PO3F trigonal pyramids that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra, and  a cornercorner with one Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 38-50°. In the third P site, P(3) is bonded to one O(6), one O(7), one F(4), and one F(6) atom to form PO2F2 tetrahedra that share  a cornercorner with one Fe(1)O4F2 octahedra and  a cornercorner with one Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-47°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Fe(3), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Fe(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. In the third F site, F(3) is bonded in a 1-coordinate geometry to one Mg(1) and one P(2) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one K(1) and one P(3) atom. In the fifth F site, F(5) is bonded in a distorted linear geometry to one K(1) and one P(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one P(3) atom. is represented by the CIF file [CIF]
data_K2MgFe4P6(O4F3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.650
_cell_length_b   7.739
_cell_length_c   10.817
_cell_angle_alpha   100.180
_cell_angle_beta   107.526
_cell_angle_gamma   89.941
_symmetry_Int_Tables_number   1
_cell_volume   600.149
_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
  K  K0  1  0.789  0.111  0.772  1.0
  K  K1  1  0.211  0.889  0.228  1.0
  Mg  Mg2  1  0.500  0.000  0.000  1.0
  Fe  Fe3  1  0.660  0.333  0.338  1.0
  Fe  Fe4  1  0.340  0.667  0.662  1.0
  Fe  Fe5  1  0.500  0.500  0.000  1.0
  Fe  Fe6  1  0.000  0.000  0.500  1.0
  P  P7  1  0.662  0.734  0.519  1.0
  P  P8  1  0.338  0.266  0.481  1.0
  P  P9  1  0.290  0.093  0.809  1.0
  P  P10  1  0.710  0.907  0.191  1.0
  P  P11  1  0.070  0.592  0.842  1.0
  P  P12  1  0.930  0.408  0.158  1.0
  O  O13  1  0.715  0.559  0.457  1.0
  O  O14  1  0.285  0.441  0.543  1.0
  O  O15  1  0.812  0.880  0.565  1.0
  O  O16  1  0.188  0.120  0.435  1.0
  O  O17  1  0.608  0.078  0.204  1.0
  O  O18  1  0.392  0.922  0.796  1.0
  O  O19  1  0.444  0.223  0.906  1.0
  O  O20  1  0.556  0.777  0.094  1.0
  O  O21  1  0.861  0.856  0.298  1.0
  O  O22  1  0.139  0.144  0.702  1.0
  O  O23  1  0.882  0.357  0.271  1.0
  O  O24  1  0.118  0.643  0.729  1.0
  O  O25  1  0.790  0.458  0.042  1.0
  O  O26  1  0.210  0.542  0.958  1.0
  O  O27  1  0.430  0.274  0.376  1.0
  O  O28  1  0.570  0.726  0.624  1.0
  F  F29  1  0.812  0.205  0.464  1.0
  F  F30  1  0.188  0.795  0.536  1.0
  F  F31  1  0.514  0.419  0.176  1.0
  F  F32  1  0.486  0.581  0.824  1.0
  F  F33  1  0.807  0.955  0.079  1.0
  F  F34  1  0.193  0.045  0.921  1.0
  F  F35  1  0.907  0.447  0.785  1.0
  F  F36  1  0.093  0.553  0.215  1.0
  F  F37  1  0.494  0.205  0.601  1.0
  F  F38  1  0.506  0.795  0.399  1.0
  F  F39  1  0.040  0.255  0.103  1.0
  F  F40  1  0.960  0.745  0.897  1.0
[/CIF]
.