data_K2MnV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11
_cell_length_b   9.15
_cell_length_c   9.63
_cell_angle_alpha   90.0
_cell_angle_beta   122.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MnV4O12
_chemical_formula_sum   'K4 Mn2 V8 O24'
_cell_volume   600.83
_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  0.88  0.83  0.79  1.0
  K  K1  1  0.4  0.41  0.35  1.0
  K  K2  1  0.49  0.75  0.74  1.0
  K  K3  1  0.01  0.32  0.3  1.0
  Mn  Mn4  1  0.39  0.58  0.05  1.0
  Mn  Mn5  1  0.0  0.0  0.0  1.0
  V  V30  1  0.18  0.24  0.02  1.0
  V  V31  1  0.53  0.06  0.99  1.0
  V  V32  1  0.75  0.48  0.15  1.0
  V  V33  1  0.11  0.66  0.12  1.0
  V  V34  1  0.79  0.49  0.98  1.0
  V  V35  1  0.14  0.67  0.94  1.0
  V  V36  1  0.36  0.1  0.11  1.0
  V  V37  1  0.72  0.92  0.07  1.0
  O  O6  1  0.11  0.74  0.38  1.0
  O  O7  1  0.5  0.28  0.7  1.0
  O  O8  1  0.1  0.23  0.12  1.0
  O  O9  1  0.72  0.25  0.33  1.0
  O  O10  1  0.72  0.54  0.74  1.0
  O  O11  1  0.09  0.51  0.86  1.0
  O  O12  1  0.19  0.09  0.28  1.0
  O  O13  1  0.57  0.11  0.4  1.0
  O  O14  1  0.57  0.68  0.81  1.0
  O  O15  1  0.19  0.66  0.02  1.0
  O  O16  1  0.78  0.7  0.44  1.0
  O  O17  1  0.18  0.32  0.76  1.0
  O  O18  1  0.71  0.83  0.33  1.0
  O  O19  1  0.11  0.45  0.66  1.0
  O  O20  1  0.71  0.5  0.08  1.0
  O  O21  1  0.32  0.48  0.28  1.0
  O  O22  1  0.33  0.04  0.69  1.0
  O  O23  1  0.7  0.06  0.82  1.0
  O  O24  1  0.8  0.64  0.23  1.0
  O  O25  1  0.17  0.62  0.36  1.0
  O  O26  1  0.18  0.9  0.76  1.0
  O  O27  1  0.79  0.92  0.97  1.0
  O  O28  1  0.39  0.88  0.39  1.0
  O  O29  1  0.79  0.41  0.71  1.0

data_K2MnV4O12
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.11
_cell_length_b   8.59
_cell_length_c   9.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MnV4O12
_chemical_formula_sum   'K4 Mn2 V8 O24'
_cell_volume   600.83
_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  0.25  0.74  0.75  1.0
  K  K1  1  0.29  0.3  0.32  1.0
  K  K2  1  0.91  0.79  0.83  1.0
  K  K3  1  0.95  0.35  0.41  1.0
  Mn  Mn4  1  0.0  0.0  0.0  1.0
  Mn  Mn5  1  0.65  0.05  0.58  1.0
  V  V6  1  0.01  0.12  0.66  1.0
  V  V7  1  0.19  0.98  0.49  1.0
  V  V8  1  0.35  0.07  0.92  1.0
  V  V9  1  0.4  0.15  0.48  1.0
  V  V10  1  0.45  0.99  0.06  1.0
  V  V11  1  0.75  0.11  0.1  1.0
  V  V12  1  0.8  0.94  0.67  1.0
  V  V13  1  0.85  0.02  0.24  1.0
  O  O14  1  0.02  0.74  0.54  1.0
  O  O15  1  0.02  0.12  0.23  1.0
  O  O16  1  0.08  0.28  0.09  1.0
  O  O17  1  0.12  0.82  0.06  1.0
  O  O18  1  0.18  0.97  0.92  1.0
  O  O19  1  0.18  0.36  0.62  1.0
  O  O20  1  0.2  0.7  0.28  1.0
  O  O21  1  0.24  0.81  0.68  1.0
  O  O22  1  0.27  0.38  0.74  1.0
  O  O23  1  0.36  0.69  0.04  1.0
  O  O24  1  0.37  0.08  0.5  1.0
  O  O25  1  0.43  0.23  0.64  1.0
  O  O26  1  0.54  0.66  0.45  1.0
  O  O27  1  0.58  0.76  0.32  1.0
  O  O28  1  0.59  0.76  0.9  1.0
  O  O29  1  0.61  0.33  0.25  1.0
  O  O30  1  0.62  0.33  0.83  1.0
  O  O31  1  0.65  0.44  0.7  1.0
  O  O32  1  0.77  0.86  0.51  1.0
  O  O33  1  0.83  0.02  0.66  1.0
  O  O34  1  0.84  0.4  0.11  1.0
  O  O35  1  0.92  0.71  0.41  1.0
  O  O36  1  0.96  0.28  0.48  1.0
  O  O37  1  1.0  0.39  0.88  1.0

K K K K Mn Mn V V V V V V V V O O O O O O O O O O O O O O O O O O O O O O O O
K2V4MnO12 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one V(6), one Mn(2), one O(11), one O(18), one O(21), one O(22), and one O(5) atom. The K(1)-V(6) bond length is 2.29 Å. The K(1)-Mn(2) bond length is 2.32 Å. The K(1)-O(11) bond length is 3.24 Å. The K(1)-O(18) bond length is 2.71 Å. The K(1)-O(21) bond length is 2.61 Å. The K(1)-O(22) bond length is 2.37 Å. The K(1)-O(5) bond length is 2.90 Å. In the second K site, K(2) is bonded in a single-bond geometry to one O(16), one O(2), one O(24), one O(4), and one O(8) atom. The K(2)-O(16) bond length is 0.90 Å. The K(2)-O(2) bond length is 3.24 Å. The K(2)-O(24) bond length is 3.19 Å. The K(2)-O(4) bond length is 3.01 Å. The K(2)-O(8) bond length is 2.90 Å. In the third K site, K(3) is bonded in a single-bond geometry to one O(1), one O(17), one O(21), one O(23), and one O(9) atom. The K(3)-O(1) bond length is 3.19 Å. The K(3)-O(17) bond length is 2.90 Å. The K(3)-O(21) bond length is 3.01 Å. The K(3)-O(23) bond length is 3.24 Å. The K(3)-O(9) bond length is 0.90 Å. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one V(3), one O(14), one O(20), one O(3), one O(4), and one O(7) atom. The K(4)-V(3) bond length is 2.29 Å. The K(4)-O(14) bond length is 3.24 Å. The K(4)-O(20) bond length is 2.90 Å. The K(4)-O(3) bond length is 2.37 Å. The K(4)-O(4) bond length is 2.61 Å. The K(4)-O(7) bond length is 2.71 Å. There are eight inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to one O(12) and one O(3) atom. The V(1)-O(12) bond length is 2.66 Å. The V(1)-O(3) bond length is 1.39 Å. In the second V site, V(2) is bonded in a 1-coordinate geometry to one O(17) and one O(18) atom. The V(2)-O(17) bond length is 2.39 Å. The V(2)-O(18) bond length is 2.61 Å. In the third V site, V(3) is bonded in a distorted single-bond geometry to one K(4), one O(15), one O(19), and one O(4) atom. The V(3)-O(15) bond length is 0.65 Å. The V(3)-O(19) bond length is 1.59 Å. The V(3)-O(4) bond length is 2.80 Å. In the fourth V site, V(4) is bonded in a distorted single-bond geometry to one O(1), one O(10), and one O(20) atom. The V(4)-O(1) bond length is 2.66 Å. The V(4)-O(10) bond length is 1.39 Å. The V(4)-O(20) bond length is 2.12 Å. In the fifth V site, V(5) is bonded in a 1-coordinate geometry to one O(15), one O(24), and one O(5) atom. The V(5)-O(15) bond length is 1.39 Å. The V(5)-O(24) bond length is 2.66 Å. The V(5)-O(5) bond length is 2.12 Å. In the sixth V site, V(6) is bonded in a distorted single-bond geometry to one K(1), one O(10), one O(21), and one O(6) atom. The V(6)-O(10) bond length is 0.65 Å. The V(6)-O(21) bond length is 2.80 Å. The V(6)-O(6) bond length is 1.59 Å. In the seventh V site, V(7) is bonded in a 1-coordinate geometry to one O(7) and one O(8) atom. The V(7)-O(7) bond length is 2.61 Å. The V(7)-O(8) bond length is 2.39 Å. In the eighth V site, V(8) is bonded in a single-bond geometry to one O(13) and one O(22) atom. The V(8)-O(13) bond length is 2.66 Å. The V(8)-O(22) bond length is 1.39 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 1-coordinate geometry to one O(10) atom. The Mn(1)-O(10) bond length is 1.70 Å. In the second Mn site, Mn(2) is bonded in a distorted single-bond geometry to one K(1), one O(18), one O(22), and one O(7) atom. The Mn(2)-O(18) bond length is 2.17 Å. The Mn(2)-O(22) bond length is 1.70 Å. The Mn(2)-O(7) bond length is 2.38 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(3), one V(4), and one O(20) atom. The O(1)-O(20) bond length is 1.36 Å. In the second O site, O(2) is bonded in a single-bond geometry to one K(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(4), one V(1), and one O(7) atom. The O(3)-O(7) bond length is 1.82 Å. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(2), one K(4), and one V(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one V(5), and one O(24) atom. The O(5)-O(24) bond length is 1.36 Å. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one V(6) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(4), one V(7), one Mn(2), and one O(3) atom. In the eighth O site, O(8) is bonded in a distorted L-shaped geometry to one K(2) and one V(7) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one K(3) atom. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to one V(4), one V(6), and one Mn(1) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one K(1) and one O(13) atom. The O(11)-O(13) bond length is 1.48 Å. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one V(1) and one O(14) atom. The O(12)-O(14) bond length is 1.48 Å. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one V(8) and one O(11) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one K(4) and one O(12) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one V(3) and one V(5) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one K(2) atom. In the seventeenth O site, O(17) is bonded in a distorted L-shaped geometry to one K(3) and one V(2) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one K(1), one V(2), one Mn(2), and one O(22) atom. The O(18)-O(22) bond length is 1.82 Å. In the nineteenth O site, O(19) is bonded in a single-bond geometry to one V(3) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one K(4), one V(4), and one O(1) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one K(1), one K(3), and one V(6) atom. In the twenty-second O site, O(22) is bonded in a 2-coordinate geometry to one K(1), one V(8), one Mn(2), and one O(18) atom. In the twenty-third O site, O(23) is bonded in a single-bond geometry to one K(3) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one K(2), one V(5), and one O(5) atom.