The compound described by Ca3YMn3B4O15 crystallizes in the monoclinic Pm space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(10), one O(2), two equivalent O(21), two equivalent O(6), and two equivalent O(8) atoms. In the second Ca site, Ca(2) is bonded to one O(12), one O(3), two equivalent O(13), and two equivalent O(8) atoms to form distorted CaO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(18), one O(9), two equivalent O(15), two equivalent O(21), and two equivalent O(7) atoms. In the fourth Ca site, Ca(4) is bonded to one O(11), one O(19), two equivalent O(14), and two equivalent O(15) atoms to form CaO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the fifth Ca site, Ca(5) is bonded in a 9-coordinate geometry to one O(12), one O(16), one O(19), two equivalent O(13), two equivalent O(14), and two equivalent O(20) atoms. In the sixth Ca site, Ca(6) is bonded to one O(16), one O(4), two equivalent O(20), and two equivalent O(21) atoms to form CaO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(17), one O(5), two equivalent O(1), two equivalent O(15), and two equivalent O(8) atoms. In the second Y site, Y(2) is bonded in a 9-coordinate geometry to one O(2), one O(5), one O(9), two equivalent O(1), two equivalent O(6), and two equivalent O(7) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(17), one O(19), one O(2), one O(20), and one O(4) atom to form MnO6 octahedra that share  a cornercorner with one Ca(4)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(12), one O(14), one O(6), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the third Mn site, Mn(3) is bonded to one O(13), one O(16), one O(18), one O(3), one O(5), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Ca(6)O6 octahedra,  an edgeedge with one Ca(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are seven inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(1) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(15), one O(21), and one O(8) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(6) atoms. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(11) and two equivalent O(7) atoms. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(10) and two equivalent O(13) atoms. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(17) and two equivalent O(14) atoms. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(18) and two equivalent O(20) atoms. There are twenty-one inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Mn(1), and one B(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Y(2), and two equivalent Mn(1) atoms to form distorted OCaYMn2 tetrahedra that share  a cornercorner with one O(9)CaYMn2 tetrahedra,  a cornercorner with one O(5)Y2Mn2 tetrahedra, and corners with two equivalent O(19)Ca2Mn2 tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), two equivalent Mn(3), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ca(6), two equivalent Mn(1), and one B(3) atom. In the fifth O site, O(5) is bonded to one Y(1), one Y(2), and two equivalent Mn(3) atoms to form distorted OY2Mn2 tetrahedra that share  a cornercorner with one O(2)CaYMn2 tetrahedra,  a cornercorner with one O(9)CaYMn2 tetrahedra, and corners with two equivalent O(16)Ca2Mn2 tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one Y(2), one Mn(2), and one B(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ca(3), one Y(2), one Mn(3), and one B(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Y(1), and one B(2) atom. In the ninth O site, O(9) is bonded to one Ca(3), one Y(2), and two equivalent Mn(2) atoms to form distorted OCaYMn2 tetrahedra that share  a cornercorner with one O(2)CaYMn2 tetrahedra,  a cornercorner with one O(5)Y2Mn2 tetrahedra, and corners with two equivalent O(12)Ca2Mn2 tetrahedra. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ca(1), two equivalent Mn(2), and one B(5) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Ca(4), two equivalent Mn(2), and one B(4) atom. In the twelfth O site, O(12) is bonded to one Ca(2), one Ca(5), and two equivalent Mn(2) atoms to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(16)Ca2Mn2 tetrahedra,  a cornercorner with one O(19)Ca2Mn2 tetrahedra, and corners with two equivalent O(9)CaYMn2 tetrahedra. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(5), one Mn(3), and one B(5) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ca(4), one Ca(5), one Mn(2), and one B(6) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ca(3), one Ca(4), one Y(1), and one B(2) atom. In the sixteenth O site, O(16) is bonded to one Ca(5), one Ca(6), and two equivalent Mn(3) atoms to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra,  a cornercorner with one O(19)Ca2Mn2 tetrahedra, and corners with two equivalent O(5)Y2Mn2 tetrahedra. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one Y(1), two equivalent Mn(1), and one B(6) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Ca(3), two equivalent Mn(3), and one B(7) atom. In the nineteenth O site, O(19) is bonded to one Ca(4), one Ca(5), and two equivalent Mn(1) atoms to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra,  a cornercorner with one O(16)Ca2Mn2 tetrahedra, and corners with two equivalent O(2)CaYMn2 tetrahedra. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Ca(5), one Ca(6), one Mn(1), and one B(7) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Ca(6), and one B(2) atom. is represented by the CIF card [CIF]
data_Ca3YMn3B4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.036
_cell_length_b   10.644
_cell_length_c   10.650
_cell_angle_alpha   60.326
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   594.519
_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  0.500  0.849  0.264  1.0
  Ca  Ca1  1  0.000  0.687  0.138  1.0
  Ca  Ca2  1  0.500  0.263  0.890  1.0
  Ca  Ca3  1  0.000  0.178  0.686  1.0
  Ca  Ca4  1  0.000  0.333  0.332  1.0
  Ca  Ca5  1  0.000  0.135  0.175  1.0
  Y  Y6  1  0.500  0.894  0.848  1.0
  Y  Y7  1  0.500  0.665  0.667  1.0
  Mn  Mn8  1  0.251  0.000  0.498  1.0
  Mn  Mn9  1  0.252  0.499  0.501  1.0
  Mn  Mn10  1  0.748  0.499  0.501  1.0
  Mn  Mn11  1  0.252  0.503  1.000  1.0
  Mn  Mn12  1  0.748  0.503  1.000  1.0
  Mn  Mn13  1  0.749  0.000  0.498  1.0
  B  B14  1  0.000  0.786  0.770  1.0
  B  B15  1  0.258  0.998  0.998  1.0
  B  B16  1  0.742  0.998  0.998  1.0
  B  B17  1  0.000  0.766  0.453  1.0
  B  B18  1  0.000  0.453  0.782  1.0
  B  B19  1  0.500  0.548  0.221  1.0
  B  B20  1  0.500  0.231  0.551  1.0
  B  B21  1  0.500  0.221  0.232  1.0
  O  O22  1  0.206  0.833  0.699  1.0
  O  O23  1  0.794  0.833  0.699  1.0
  O  O24  1  0.500  0.899  0.476  1.0
  O  O25  1  0.000  0.689  0.915  1.0
  O  O26  1  0.000  0.913  0.400  1.0
  O  O27  1  0.500  0.633  0.900  1.0
  O  O28  1  0.204  0.694  0.480  1.0
  O  O29  1  0.796  0.694  0.480  1.0
  O  O30  1  0.205  0.481  0.826  1.0
  O  O31  1  0.795  0.481  0.826  1.0
  O  O32  1  0.276  0.850  0.055  1.0
  O  O33  1  0.724  0.850  0.055  1.0
  O  O34  1  0.500  0.474  0.626  1.0
  O  O35  1  0.500  0.596  0.320  1.0
  O  O36  1  0.000  0.396  0.691  1.0
  O  O37  1  0.000  0.523  0.384  1.0
  O  O38  1  0.701  0.522  0.173  1.0
  O  O39  1  0.299  0.522  0.173  1.0
  O  O40  1  0.701  0.303  0.523  1.0
  O  O41  1  0.299  0.303  0.523  1.0
  O  O42  1  0.274  0.079  0.849  1.0
  O  O43  1  0.726  0.079  0.849  1.0
  O  O44  1  0.000  0.384  0.091  1.0
  O  O45  1  0.500  0.081  0.605  1.0
  O  O46  1  0.500  0.320  0.085  1.0
  O  O47  1  0.000  0.094  0.522  1.0
  O  O48  1  0.701  0.172  0.304  1.0
  O  O49  1  0.299  0.172  0.304  1.0
  O  O50  1  0.267  0.060  0.083  1.0
  O  O51  1  0.733  0.060  0.083  1.0
[/CIF]
.
The compound described by Ca3YMn3B4O15 crystallizes in the monoclinic Pm space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(10), one O(2), two equivalent O(21), two equivalent O(6), and two equivalent O(8) atoms. In the second Ca site, Ca(2) is bonded to one O(12), one O(3), two equivalent O(13), and two equivalent O(8) atoms to form distorted CaO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(18), one O(9), two equivalent O(15), two equivalent O(21), and two equivalent O(7) atoms. In the fourth Ca site, Ca(4) is bonded to one O(11), one O(19), two equivalent O(14), and two equivalent O(15) atoms to form CaO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the fifth Ca site, Ca(5) is bonded in a 9-coordinate geometry to one O(12), one O(16), one O(19), two equivalent O(13), two equivalent O(14), and two equivalent O(20) atoms. In the sixth Ca site, Ca(6) is bonded to one O(16), one O(4), two equivalent O(20), and two equivalent O(21) atoms to form CaO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(17), one O(5), two equivalent O(1), two equivalent O(15), and two equivalent O(8) atoms. In the second Y site, Y(2) is bonded in a 9-coordinate geometry to one O(2), one O(5), one O(9), two equivalent O(1), two equivalent O(6), and two equivalent O(7) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(17), one O(19), one O(2), one O(20), and one O(4) atom to form MnO6 octahedra that share  a cornercorner with one Ca(4)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(12), one O(14), one O(6), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the third Mn site, Mn(3) is bonded to one O(13), one O(16), one O(18), one O(3), one O(5), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Ca(6)O6 octahedra,  an edgeedge with one Ca(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are seven inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(1) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(15), one O(21), and one O(8) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(6) atoms. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(11) and two equivalent O(7) atoms. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(10) and two equivalent O(13) atoms. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(17) and two equivalent O(14) atoms. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(18) and two equivalent O(20) atoms. There are twenty-one inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Mn(1), and one B(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Y(2), and two equivalent Mn(1) atoms to form distorted OCaYMn2 tetrahedra that share  a cornercorner with one O(9)CaYMn2 tetrahedra,  a cornercorner with one O(5)Y2Mn2 tetrahedra, and corners with two equivalent O(19)Ca2Mn2 tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), two equivalent Mn(3), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ca(6), two equivalent Mn(1), and one B(3) atom. In the fifth O site, O(5) is bonded to one Y(1), one Y(2), and two equivalent Mn(3) atoms to form distorted OY2Mn2 tetrahedra that share  a cornercorner with one O(2)CaYMn2 tetrahedra,  a cornercorner with one O(9)CaYMn2 tetrahedra, and corners with two equivalent O(16)Ca2Mn2 tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one Y(2), one Mn(2), and one B(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ca(3), one Y(2), one Mn(3), and one B(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Y(1), and one B(2) atom. In the ninth O site, O(9) is bonded to one Ca(3), one Y(2), and two equivalent Mn(2) atoms to form distorted OCaYMn2 tetrahedra that share  a cornercorner with one O(2)CaYMn2 tetrahedra,  a cornercorner with one O(5)Y2Mn2 tetrahedra, and corners with two equivalent O(12)Ca2Mn2 tetrahedra. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ca(1), two equivalent Mn(2), and one B(5) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Ca(4), two equivalent Mn(2), and one B(4) atom. In the twelfth O site, O(12) is bonded to one Ca(2), one Ca(5), and two equivalent Mn(2) atoms to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(16)Ca2Mn2 tetrahedra,  a cornercorner with one O(19)Ca2Mn2 tetrahedra, and corners with two equivalent O(9)CaYMn2 tetrahedra. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(5), one Mn(3), and one B(5) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ca(4), one Ca(5), one Mn(2), and one B(6) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ca(3), one Ca(4), one Y(1), and one B(2) atom. In the sixteenth O site, O(16) is bonded to one Ca(5), one Ca(6), and two equivalent Mn(3) atoms to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra,  a cornercorner with one O(19)Ca2Mn2 tetrahedra, and corners with two equivalent O(5)Y2Mn2 tetrahedra. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one Y(1), two equivalent Mn(1), and one B(6) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Ca(3), two equivalent Mn(3), and one B(7) atom. In the nineteenth O site, O(19) is bonded to one Ca(4), one Ca(5), and two equivalent Mn(1) atoms to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra,  a cornercorner with one O(16)Ca2Mn2 tetrahedra, and corners with two equivalent O(2)CaYMn2 tetrahedra. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Ca(5), one Ca(6), one Mn(1), and one B(7) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Ca(6), and one B(2) atom. is represented by the CIF card [CIF]
data_Ca3YMn3B4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.036
_cell_length_b   10.644
_cell_length_c   10.650
_cell_angle_alpha   60.326
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   594.519
_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  0.500  0.849  0.264  1.0
  Ca  Ca1  1  0.000  0.687  0.138  1.0
  Ca  Ca2  1  0.500  0.263  0.890  1.0
  Ca  Ca3  1  0.000  0.178  0.686  1.0
  Ca  Ca4  1  0.000  0.333  0.332  1.0
  Ca  Ca5  1  0.000  0.135  0.175  1.0
  Y  Y6  1  0.500  0.894  0.848  1.0
  Y  Y7  1  0.500  0.665  0.667  1.0
  Mn  Mn8  1  0.251  0.000  0.498  1.0
  Mn  Mn9  1  0.252  0.499  0.501  1.0
  Mn  Mn10  1  0.748  0.499  0.501  1.0
  Mn  Mn11  1  0.252  0.503  1.000  1.0
  Mn  Mn12  1  0.748  0.503  1.000  1.0
  Mn  Mn13  1  0.749  0.000  0.498  1.0
  B  B14  1  0.000  0.786  0.770  1.0
  B  B15  1  0.258  0.998  0.998  1.0
  B  B16  1  0.742  0.998  0.998  1.0
  B  B17  1  0.000  0.766  0.453  1.0
  B  B18  1  0.000  0.453  0.782  1.0
  B  B19  1  0.500  0.548  0.221  1.0
  B  B20  1  0.500  0.231  0.551  1.0
  B  B21  1  0.500  0.221  0.232  1.0
  O  O22  1  0.206  0.833  0.699  1.0
  O  O23  1  0.794  0.833  0.699  1.0
  O  O24  1  0.500  0.899  0.476  1.0
  O  O25  1  0.000  0.689  0.915  1.0
  O  O26  1  0.000  0.913  0.400  1.0
  O  O27  1  0.500  0.633  0.900  1.0
  O  O28  1  0.204  0.694  0.480  1.0
  O  O29  1  0.796  0.694  0.480  1.0
  O  O30  1  0.205  0.481  0.826  1.0
  O  O31  1  0.795  0.481  0.826  1.0
  O  O32  1  0.276  0.850  0.055  1.0
  O  O33  1  0.724  0.850  0.055  1.0
  O  O34  1  0.500  0.474  0.626  1.0
  O  O35  1  0.500  0.596  0.320  1.0
  O  O36  1  0.000  0.396  0.691  1.0
  O  O37  1  0.000  0.523  0.384  1.0
  O  O38  1  0.701  0.522  0.173  1.0
  O  O39  1  0.299  0.522  0.173  1.0
  O  O40  1  0.701  0.303  0.523  1.0
  O  O41  1  0.299  0.303  0.523  1.0
  O  O42  1  0.274  0.079  0.849  1.0
  O  O43  1  0.726  0.079  0.849  1.0
  O  O44  1  0.000  0.384  0.091  1.0
  O  O45  1  0.500  0.081  0.605  1.0
  O  O46  1  0.500  0.320  0.085  1.0
  O  O47  1  0.000  0.094  0.522  1.0
  O  O48  1  0.701  0.172  0.304  1.0
  O  O49  1  0.299  0.172  0.304  1.0
  O  O50  1  0.267  0.060  0.083  1.0
  O  O51  1  0.733  0.060  0.083  1.0
[/CIF]
.