The compound described by Ca4Mn3B3CO15 crystallizes in the hexagonal P6_3 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and three equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(4), and three equivalent O(5) atoms. Mn(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing MnO6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. C(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Mn(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ca(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ca(1), two equivalent Mn(1), and one B(1) atom. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), and two equivalent Mn(1) atoms to form distorted corner-sharing OCa2Mn2 tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Mn(1), and one B(1) atom. is represented by the CIF file [CIF]
data_Ca4Mn3B3CO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.732
_cell_length_b   10.732
_cell_length_c   5.989
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   597.383
_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
  Ca  Ca0  1  0.698  0.869  0.180  1.0
  Ca  Ca1  1  0.869  0.171  0.680  1.0
  Ca  Ca2  1  0.131  0.829  0.180  1.0
  Ca  Ca3  1  0.667  0.333  0.685  1.0
  Ca  Ca4  1  0.333  0.667  0.185  1.0
  Ca  Ca5  1  0.171  0.302  0.180  1.0
  Ca  Ca6  1  0.829  0.698  0.680  1.0
  Ca  Ca7  1  0.302  0.131  0.680  1.0
  Mn  Mn8  1  0.500  0.500  0.931  1.0
  Mn  Mn9  1  0.500  0.500  0.431  1.0
  Mn  Mn10  1  0.500  0.999  0.431  1.0
  Mn  Mn11  1  0.500  0.001  0.931  1.0
  Mn  Mn12  1  0.001  0.500  0.431  1.0
  Mn  Mn13  1  0.999  0.500  0.931  1.0
  B  B14  1  0.553  0.783  0.680  1.0
  B  B15  1  0.230  0.447  0.680  1.0
  B  B16  1  0.783  0.230  0.180  1.0
  B  B17  1  0.217  0.770  0.680  1.0
  B  B18  1  0.447  0.217  0.180  1.0
  B  B19  1  0.770  0.553  0.180  1.0
  C  C20  1  0.000  0.000  0.495  1.0
  C  C21  1  0.000  0.000  0.995  1.0
  O  O22  1  0.471  0.170  0.977  1.0
  O  O23  1  0.862  0.950  0.499  1.0
  O  O24  1  0.400  0.316  0.182  1.0
  O  O25  1  0.088  0.138  0.499  1.0
  O  O26  1  0.170  0.699  0.477  1.0
  O  O27  1  0.096  0.474  0.180  1.0
  O  O28  1  0.916  0.600  0.182  1.0
  O  O29  1  0.684  0.084  0.182  1.0
  O  O30  1  0.301  0.467  0.885  1.0
  O  O31  1  0.138  0.050  0.999  1.0
  O  O32  1  0.166  0.699  0.885  1.0
  O  O33  1  0.529  0.830  0.477  1.0
  O  O34  1  0.316  0.916  0.682  1.0
  O  O35  1  0.830  0.301  0.977  1.0
  O  O36  1  0.912  0.862  0.999  1.0
  O  O37  1  0.834  0.301  0.385  1.0
  O  O38  1  0.301  0.471  0.477  1.0
  O  O39  1  0.533  0.834  0.885  1.0
  O  O40  1  0.467  0.166  0.385  1.0
  O  O41  1  0.600  0.684  0.682  1.0
  O  O42  1  0.084  0.400  0.682  1.0
  O  O43  1  0.050  0.912  0.499  1.0
  O  O44  1  0.526  0.621  0.180  1.0
  O  O45  1  0.621  0.096  0.680  1.0
  O  O46  1  0.474  0.379  0.680  1.0
  O  O47  1  0.699  0.533  0.385  1.0
  O  O48  1  0.904  0.526  0.680  1.0
  O  O49  1  0.699  0.529  0.977  1.0
  O  O50  1  0.950  0.088  0.999  1.0
  O  O51  1  0.379  0.904  0.180  1.0
[/CIF]
.
The compound described by Ca4Mn3B3CO15 crystallizes in the hexagonal P6_3 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and three equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(4), and three equivalent O(5) atoms. Mn(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing MnO6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. C(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Mn(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ca(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ca(1), two equivalent Mn(1), and one B(1) atom. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), and two equivalent Mn(1) atoms to form distorted corner-sharing OCa2Mn2 tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Mn(1), and one B(1) atom. is represented by the CIF file [CIF]
data_Ca4Mn3B3CO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.732
_cell_length_b   10.732
_cell_length_c   5.989
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   597.383
_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
  Ca  Ca0  1  0.698  0.869  0.180  1.0
  Ca  Ca1  1  0.869  0.171  0.680  1.0
  Ca  Ca2  1  0.131  0.829  0.180  1.0
  Ca  Ca3  1  0.667  0.333  0.685  1.0
  Ca  Ca4  1  0.333  0.667  0.185  1.0
  Ca  Ca5  1  0.171  0.302  0.180  1.0
  Ca  Ca6  1  0.829  0.698  0.680  1.0
  Ca  Ca7  1  0.302  0.131  0.680  1.0
  Mn  Mn8  1  0.500  0.500  0.931  1.0
  Mn  Mn9  1  0.500  0.500  0.431  1.0
  Mn  Mn10  1  0.500  0.999  0.431  1.0
  Mn  Mn11  1  0.500  0.001  0.931  1.0
  Mn  Mn12  1  0.001  0.500  0.431  1.0
  Mn  Mn13  1  0.999  0.500  0.931  1.0
  B  B14  1  0.553  0.783  0.680  1.0
  B  B15  1  0.230  0.447  0.680  1.0
  B  B16  1  0.783  0.230  0.180  1.0
  B  B17  1  0.217  0.770  0.680  1.0
  B  B18  1  0.447  0.217  0.180  1.0
  B  B19  1  0.770  0.553  0.180  1.0
  C  C20  1  0.000  0.000  0.495  1.0
  C  C21  1  0.000  0.000  0.995  1.0
  O  O22  1  0.471  0.170  0.977  1.0
  O  O23  1  0.862  0.950  0.499  1.0
  O  O24  1  0.400  0.316  0.182  1.0
  O  O25  1  0.088  0.138  0.499  1.0
  O  O26  1  0.170  0.699  0.477  1.0
  O  O27  1  0.096  0.474  0.180  1.0
  O  O28  1  0.916  0.600  0.182  1.0
  O  O29  1  0.684  0.084  0.182  1.0
  O  O30  1  0.301  0.467  0.885  1.0
  O  O31  1  0.138  0.050  0.999  1.0
  O  O32  1  0.166  0.699  0.885  1.0
  O  O33  1  0.529  0.830  0.477  1.0
  O  O34  1  0.316  0.916  0.682  1.0
  O  O35  1  0.830  0.301  0.977  1.0
  O  O36  1  0.912  0.862  0.999  1.0
  O  O37  1  0.834  0.301  0.385  1.0
  O  O38  1  0.301  0.471  0.477  1.0
  O  O39  1  0.533  0.834  0.885  1.0
  O  O40  1  0.467  0.166  0.385  1.0
  O  O41  1  0.600  0.684  0.682  1.0
  O  O42  1  0.084  0.400  0.682  1.0
  O  O43  1  0.050  0.912  0.499  1.0
  O  O44  1  0.526  0.621  0.180  1.0
  O  O45  1  0.621  0.096  0.680  1.0
  O  O46  1  0.474  0.379  0.680  1.0
  O  O47  1  0.699  0.533  0.385  1.0
  O  O48  1  0.904  0.526  0.680  1.0
  O  O49  1  0.699  0.529  0.977  1.0
  O  O50  1  0.950  0.088  0.999  1.0
  O  O51  1  0.379  0.904  0.180  1.0
[/CIF]
.