The compound described by K2Mn3P4(HO3)4 crystallizes in the trigonal R3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to three equivalent O(4) and six equivalent O(3) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to three equivalent O(3) and six equivalent O(4) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent P(1)HO3 tetrahedra, corners with three equivalent P(3)HO3 tetrahedra, and  a faceface with one Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form MnO6 octahedra that share corners with three equivalent P(2)HO3 tetrahedra, corners with three equivalent P(4)HO3 tetrahedra, and  a faceface with one Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent P(1)HO3 tetrahedra, corners with three equivalent P(2)HO3 tetrahedra,  a faceface with one Mn(1)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one H(1,2) and three equivalent O(1) atoms to form distorted PHO3 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-57°. In the second P site, P(2) is bonded to one H(1,2) and three equivalent O(2) atoms to form distorted PHO3 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-57°. In the third P site, P(3) is bonded to one H(3,4) and three equivalent O(3) atoms to form distorted PHO3 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the fourth P site, P(4) is bonded to one H(3,4) and three equivalent O(4) atoms to form distorted PHO3 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one P(2) atom. In the second H site, H(3,4) is bonded in a single-bond geometry to one P(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), one Mn(1), and one P(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Mn(2), and one P(4) atom. is represented by the CIF card [CIF]
data_K2Mn3P4(HO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.507
_cell_length_b   5.507
_cell_length_c   12.406
_cell_angle_alpha   77.181
_cell_angle_beta   77.181
_cell_angle_gamma   60.011
_symmetry_Int_Tables_number   1
_cell_volume   314.977
_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
  H  H0  1  0.657  0.657  0.029  1.0
  H  H1  1  0.343  0.343  0.971  1.0
  H  H2  1  0.598  0.598  0.206  1.0
  H  H3  1  0.402  0.402  0.794  1.0
  K  K4  1  0.187  0.187  0.439  1.0
  K  K5  1  0.813  0.813  0.561  1.0
  Mn  Mn6  1  0.916  0.916  0.253  1.0
  Mn  Mn7  1  0.084  0.084  0.747  1.0
  Mn  Mn8  1  0.000  0.000  1.000  1.0
  O  O9  1  0.136  0.605  0.123  1.0
  O  O10  1  0.605  0.136  0.123  1.0
  O  O11  1  0.136  0.136  0.123  1.0
  O  O12  1  0.864  0.864  0.877  1.0
  O  O13  1  0.395  0.864  0.877  1.0
  O  O14  1  0.864  0.395  0.877  1.0
  O  O15  1  0.237  0.701  0.362  1.0
  O  O16  1  0.701  0.237  0.362  1.0
  O  O17  1  0.701  0.701  0.362  1.0
  O  O18  1  0.299  0.299  0.638  1.0
  O  O19  1  0.299  0.763  0.638  1.0
  O  O20  1  0.763  0.299  0.638  1.0
  P  P21  1  0.304  0.304  0.088  1.0
  P  P22  1  0.696  0.696  0.912  1.0
  P  P23  1  0.559  0.559  0.324  1.0
  P  P24  1  0.441  0.441  0.676  1.0
[/CIF]
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The compound described by K2Mn3P4(HO3)4 crystallizes in the trigonal R3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to three equivalent O(4) and six equivalent O(3) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to three equivalent O(3) and six equivalent O(4) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent P(1)HO3 tetrahedra, corners with three equivalent P(3)HO3 tetrahedra, and  a faceface with one Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form MnO6 octahedra that share corners with three equivalent P(2)HO3 tetrahedra, corners with three equivalent P(4)HO3 tetrahedra, and  a faceface with one Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent P(1)HO3 tetrahedra, corners with three equivalent P(2)HO3 tetrahedra,  a faceface with one Mn(1)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one H(1,2) and three equivalent O(1) atoms to form distorted PHO3 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-57°. In the second P site, P(2) is bonded to one H(1,2) and three equivalent O(2) atoms to form distorted PHO3 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-57°. In the third P site, P(3) is bonded to one H(3,4) and three equivalent O(3) atoms to form distorted PHO3 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the fourth P site, P(4) is bonded to one H(3,4) and three equivalent O(4) atoms to form distorted PHO3 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one P(2) atom. In the second H site, H(3,4) is bonded in a single-bond geometry to one P(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), one Mn(1), and one P(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Mn(2), and one P(4) atom. is represented by the CIF card [CIF]
data_K2Mn3P4(HO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.507
_cell_length_b   5.507
_cell_length_c   12.406
_cell_angle_alpha   77.181
_cell_angle_beta   77.181
_cell_angle_gamma   60.011
_symmetry_Int_Tables_number   1
_cell_volume   314.977
_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
  H  H0  1  0.657  0.657  0.029  1.0
  H  H1  1  0.343  0.343  0.971  1.0
  H  H2  1  0.598  0.598  0.206  1.0
  H  H3  1  0.402  0.402  0.794  1.0
  K  K4  1  0.187  0.187  0.439  1.0
  K  K5  1  0.813  0.813  0.561  1.0
  Mn  Mn6  1  0.916  0.916  0.253  1.0
  Mn  Mn7  1  0.084  0.084  0.747  1.0
  Mn  Mn8  1  0.000  0.000  1.000  1.0
  O  O9  1  0.136  0.605  0.123  1.0
  O  O10  1  0.605  0.136  0.123  1.0
  O  O11  1  0.136  0.136  0.123  1.0
  O  O12  1  0.864  0.864  0.877  1.0
  O  O13  1  0.395  0.864  0.877  1.0
  O  O14  1  0.864  0.395  0.877  1.0
  O  O15  1  0.237  0.701  0.362  1.0
  O  O16  1  0.701  0.237  0.362  1.0
  O  O17  1  0.701  0.701  0.362  1.0
  O  O18  1  0.299  0.299  0.638  1.0
  O  O19  1  0.299  0.763  0.638  1.0
  O  O20  1  0.763  0.299  0.638  1.0
  P  P21  1  0.304  0.304  0.088  1.0
  P  P22  1  0.696  0.696  0.912  1.0
  P  P23  1  0.559  0.559  0.324  1.0
  P  P24  1  0.441  0.441  0.676  1.0
[/CIF]
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