The structure described by K4MgMn4O8 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to one O(1), one O(6), and two equivalent O(5) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(4), and two equivalent O(7) atoms. In the third K site, K(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(6) atoms. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one O(4), one O(7), two equivalent O(3), and two equivalent O(8) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(1) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(6), and two equivalent O(5) atoms to form distorted MnO4 trigonal pyramids that share corners with two equivalent Mn(1)O4 trigonal pyramids and edges with two equivalent Mn(2)O5 square pyramids. In the second Mn site, Mn(2) is bonded to one O(5), two equivalent O(2), and two equivalent O(6) atoms to form MnO5 square pyramids that share edges with two equivalent Mn(2)O5 square pyramids and edges with two equivalent Mn(1)O4 trigonal pyramids. In the third Mn site, Mn(3) is bonded to one O(7), two equivalent O(3), and two equivalent O(8) atoms to form edge-sharing MnO5 square pyramids. In the fourth Mn site, Mn(4) is bonded to one O(8), two equivalent O(4), and two equivalent O(7) atoms to form edge-sharing MnO5 square pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one K(1), two equivalent Mg(1), and one Mn(1) atom to form distorted OKMg2Mn tetrahedra that share corners with four equivalent O(5)K2Mn3 square pyramids and corners with two equivalent O(1)KMg2Mn tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(3), and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent K(4), one Mg(1), and two equivalent Mn(3) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one K(3), one K(4), two equivalent K(2), and two equivalent Mn(4) atoms. In the fifth O site, O(5) is bonded to two equivalent K(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted OK2Mn3 square pyramids that share corners with four equivalent O(1)KMg2Mn tetrahedra and edges with two equivalent O(5)K2Mn3 square pyramids. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one K(1), two equivalent K(3), one Mn(1), and two equivalent Mn(2) atoms. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one K(4), two equivalent K(2), one Mn(3), and two equivalent Mn(4) atoms. In the eighth O site, O(8) is bonded to two equivalent K(4), one Mn(4), and two equivalent Mn(3) atoms to form edge-sharing OK2Mn3 square pyramids. is represented by the CIF card [CIF]
data_K4MgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.137
_cell_length_b   6.383
_cell_length_c   14.998
_cell_angle_alpha   99.314
_cell_angle_beta   83.928
_cell_angle_gamma   90.562
_symmetry_Int_Tables_number   1
_cell_volume   294.668
_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  0.104  0.575  0.046  1.0
  K  K1  1  0.227  0.042  0.679  1.0
  K  K2  1  0.702  0.589  0.820  1.0
  K  K3  1  0.824  0.866  0.465  1.0
  Mg  Mg4  1  0.447  0.995  0.246  1.0
  Mn  Mn5  1  0.078  0.075  0.065  1.0
  Mn  Mn6  1  0.663  0.110  0.899  1.0
  Mn  Mn7  1  0.842  0.327  0.420  1.0
  Mn  Mn8  1  0.258  0.500  0.594  1.0
  O  O9  1  0.980  0.922  0.176  1.0
  O  O10  1  0.190  0.258  0.848  1.0
  O  O11  1  0.365  0.123  0.371  1.0
  O  O12  1  0.738  0.691  0.641  1.0
  O  O13  1  0.593  0.262  0.043  1.0
  O  O14  1  0.146  0.908  0.927  1.0
  O  O15  1  0.766  0.289  0.573  1.0
  O  O16  1  0.328  0.531  0.452  1.0
[/CIF]
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The structure described by K4MgMn4O8 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to one O(1), one O(6), and two equivalent O(5) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(4), and two equivalent O(7) atoms. In the third K site, K(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(6) atoms. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one O(4), one O(7), two equivalent O(3), and two equivalent O(8) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(1) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(6), and two equivalent O(5) atoms to form distorted MnO4 trigonal pyramids that share corners with two equivalent Mn(1)O4 trigonal pyramids and edges with two equivalent Mn(2)O5 square pyramids. In the second Mn site, Mn(2) is bonded to one O(5), two equivalent O(2), and two equivalent O(6) atoms to form MnO5 square pyramids that share edges with two equivalent Mn(2)O5 square pyramids and edges with two equivalent Mn(1)O4 trigonal pyramids. In the third Mn site, Mn(3) is bonded to one O(7), two equivalent O(3), and two equivalent O(8) atoms to form edge-sharing MnO5 square pyramids. In the fourth Mn site, Mn(4) is bonded to one O(8), two equivalent O(4), and two equivalent O(7) atoms to form edge-sharing MnO5 square pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one K(1), two equivalent Mg(1), and one Mn(1) atom to form distorted OKMg2Mn tetrahedra that share corners with four equivalent O(5)K2Mn3 square pyramids and corners with two equivalent O(1)KMg2Mn tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(3), and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent K(4), one Mg(1), and two equivalent Mn(3) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one K(3), one K(4), two equivalent K(2), and two equivalent Mn(4) atoms. In the fifth O site, O(5) is bonded to two equivalent K(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted OK2Mn3 square pyramids that share corners with four equivalent O(1)KMg2Mn tetrahedra and edges with two equivalent O(5)K2Mn3 square pyramids. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one K(1), two equivalent K(3), one Mn(1), and two equivalent Mn(2) atoms. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one K(4), two equivalent K(2), one Mn(3), and two equivalent Mn(4) atoms. In the eighth O site, O(8) is bonded to two equivalent K(4), one Mn(4), and two equivalent Mn(3) atoms to form edge-sharing OK2Mn3 square pyramids. is represented by the CIF card [CIF]
data_K4MgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.137
_cell_length_b   6.383
_cell_length_c   14.998
_cell_angle_alpha   99.314
_cell_angle_beta   83.928
_cell_angle_gamma   90.562
_symmetry_Int_Tables_number   1
_cell_volume   294.668
_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  0.104  0.575  0.046  1.0
  K  K1  1  0.227  0.042  0.679  1.0
  K  K2  1  0.702  0.589  0.820  1.0
  K  K3  1  0.824  0.866  0.465  1.0
  Mg  Mg4  1  0.447  0.995  0.246  1.0
  Mn  Mn5  1  0.078  0.075  0.065  1.0
  Mn  Mn6  1  0.663  0.110  0.899  1.0
  Mn  Mn7  1  0.842  0.327  0.420  1.0
  Mn  Mn8  1  0.258  0.500  0.594  1.0
  O  O9  1  0.980  0.922  0.176  1.0
  O  O10  1  0.190  0.258  0.848  1.0
  O  O11  1  0.365  0.123  0.371  1.0
  O  O12  1  0.738  0.691  0.641  1.0
  O  O13  1  0.593  0.262  0.043  1.0
  O  O14  1  0.146  0.908  0.927  1.0
  O  O15  1  0.766  0.289  0.573  1.0
  O  O16  1  0.328  0.531  0.452  1.0
[/CIF]
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