The structure described by Sr6CaMn4O13 crystallizes in the monoclinic P2_1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(13), one O(2), one O(6), one O(7), one O(9), and two equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(5), one O(8), one O(9), and two equivalent O(3) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(1), one O(13), one O(3), one O(5), one O(6), one O(8), one O(9), and two equivalent O(11) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(10), one O(13), one O(2), one O(4), one O(5), one O(6), one O(7), and two equivalent O(12) atoms. In the fifth Sr site, Sr(5) is bonded in a body-centered cubic geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(7), one O(8), and one O(9) atom. In the sixth Sr site, Sr(6) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(6), and one O(7) atom. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(5), one O(8), and one O(9) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(3), one O(5), and one O(8) atom to form distorted face-sharing MnO5 square pyramids. In the second Mn site, Mn(2) is bonded to one O(12), one O(2), one O(4), one O(6), and one O(7) atom to form distorted face-sharing MnO5 square pyramids. In the third Mn site, Mn(3) is bonded to one O(13), one O(3), one O(5), one O(8), and one O(9) atom to form a mixture of corner and face-sharing MnO5 square pyramids. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(13), one O(4), one O(6), and one O(7) atom to form a mixture of corner and face-sharing MnO5 square pyramids. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one Sr(5), one Sr(6), one Ca(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(4), one Sr(5), one Sr(6), one Ca(1), and one Mn(2) atom. In the third O site, O(3) is bonded to one Sr(3), one Sr(5), two equivalent Sr(2), one Mn(1), and one Mn(3) atom to form distorted OSr4Mn2 octahedra that share  a cornercorner with one O(13)Sr4Mn2 octahedra,  a cornercorner with one O(4)Sr4Mn2 octahedra,  a cornercorner with one O(6)Sr4Mn2 octahedra,  a cornercorner with one O(7)Sr4Mn2 octahedra, corners with two equivalent O(3)Sr4Mn2 octahedra,  a faceface with one O(13)Sr4Mn2 octahedra, and faces with two equivalent O(8)Sr3CaMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-71°. In the fourth O site, O(4) is bonded to one Sr(4), one Sr(5), two equivalent Sr(1), one Mn(2), and one Mn(4) atom to form distorted OSr4Mn2 octahedra that share  a cornercorner with one O(8)Sr3CaMn2 octahedra,  a cornercorner with one O(13)Sr4Mn2 octahedra,  a cornercorner with one O(3)Sr4Mn2 octahedra, corners with two equivalent O(4)Sr4Mn2 octahedra, corners with two equivalent O(6)Sr4Mn2 octahedra,  a faceface with one O(13)Sr4Mn2 octahedra,  a faceface with one O(6)Sr4Mn2 octahedra, and faces with two equivalent O(7)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-71°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one Ca(1), one Mn(1), and one Mn(3) atom. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(6), one Mn(2), and one Mn(4) atom to form distorted OSr4Mn2 octahedra that share  a cornercorner with one O(8)Sr3CaMn2 octahedra,  a cornercorner with one O(13)Sr4Mn2 octahedra,  a cornercorner with one O(3)Sr4Mn2 octahedra, corners with two equivalent O(4)Sr4Mn2 octahedra, corners with two equivalent O(7)Sr4Mn2 octahedra,  a faceface with one O(13)Sr4Mn2 octahedra,  a faceface with one O(4)Sr4Mn2 octahedra, and  a faceface with one O(7)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 18-69°. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(4), one Sr(5), one Sr(6), one Mn(2), and one Mn(4) atom to form distorted OSr4Mn2 octahedra that share  a cornercorner with one O(8)Sr3CaMn2 octahedra,  a cornercorner with one O(13)Sr4Mn2 octahedra,  a cornercorner with one O(3)Sr4Mn2 octahedra, corners with two equivalent O(6)Sr4Mn2 octahedra,  an edgeedge with one O(13)Sr4Mn2 octahedra,  a faceface with one O(6)Sr4Mn2 octahedra, and faces with two equivalent O(4)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-71°. In the eighth O site, O(8) is bonded to one Sr(2), one Sr(3), one Sr(5), one Ca(1), one Mn(1), and one Mn(3) atom to form a mixture of distorted corner, face, and edge-sharing OSr3CaMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-71°. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(5), one Ca(1), and one Mn(3) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Sr(5), one Sr(6), and one Mn(4) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(6), two equivalent Sr(3), one Ca(1), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(6), two equivalent Sr(4), one Ca(1), and one Mn(2) atom. In the thirteenth O site, O(13) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mn(3), and one Mn(4) atom to form distorted OSr4Mn2 octahedra that share  a cornercorner with one O(8)Sr3CaMn2 octahedra,  a cornercorner with one O(3)Sr4Mn2 octahedra,  a cornercorner with one O(4)Sr4Mn2 octahedra,  a cornercorner with one O(6)Sr4Mn2 octahedra,  a cornercorner with one O(7)Sr4Mn2 octahedra,  an edgeedge with one O(8)Sr3CaMn2 octahedra,  an edgeedge with one O(7)Sr4Mn2 octahedra,  a faceface with one O(3)Sr4Mn2 octahedra,  a faceface with one O(4)Sr4Mn2 octahedra, and  a faceface with one O(6)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 6-70°. is represented by the CIF file [CIF]
data_Sr6CaMn4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.912
_cell_length_b   6.902
_cell_length_c   10.198
_cell_angle_alpha   85.974
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   695.933
_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
  Sr  Sr0  1  0.641  0.664  0.446  1.0
  Sr  Sr1  1  0.141  0.336  0.554  1.0
  Sr  Sr2  1  0.360  0.337  0.051  1.0
  Sr  Sr3  1  0.860  0.663  0.949  1.0
  Sr  Sr4  1  0.513  0.838  0.089  1.0
  Sr  Sr5  1  0.013  0.162  0.911  1.0
  Sr  Sr6  1  0.489  0.164  0.410  1.0
  Sr  Sr7  1  0.989  0.836  0.590  1.0
  Sr  Sr8  1  0.499  0.499  0.750  1.0
  Sr  Sr9  1  0.999  0.501  0.250  1.0
  Sr  Sr10  1  0.675  0.993  0.713  1.0
  Sr  Sr11  1  0.175  0.007  0.287  1.0
  Ca  Ca12  1  0.322  0.006  0.789  1.0
  Ca  Ca13  1  0.822  0.994  0.211  1.0
  Mn  Mn14  1  0.675  0.225  0.971  1.0
  Mn  Mn15  1  0.175  0.775  0.029  1.0
  Mn  Mn16  1  0.323  0.774  0.533  1.0
  Mn  Mn17  1  0.823  0.226  0.467  1.0
  Mn  Mn18  1  0.668  0.427  0.174  1.0
  Mn  Mn19  1  0.168  0.573  0.826  1.0
  Mn  Mn20  1  0.335  0.574  0.327  1.0
  Mn  Mn21  1  0.835  0.426  0.673  1.0
  O  O22  1  0.523  0.148  0.871  1.0
  O  O23  1  0.023  0.852  0.129  1.0
  O  O24  1  0.467  0.852  0.637  1.0
  O  O25  1  0.967  0.148  0.363  1.0
  O  O26  1  0.607  0.493  0.976  1.0
  O  O27  1  0.107  0.507  0.024  1.0
  O  O28  1  0.394  0.507  0.525  1.0
  O  O29  1  0.894  0.493  0.475  1.0
  O  O30  1  0.597  0.158  0.170  1.0
  O  O31  1  0.097  0.842  0.830  1.0
  O  O32  1  0.409  0.841  0.333  1.0
  O  O33  1  0.909  0.159  0.667  1.0
  O  O34  1  0.672  0.325  0.581  1.0
  O  O35  1  0.172  0.675  0.419  1.0
  O  O36  1  0.328  0.679  0.916  1.0
  O  O37  1  0.828  0.321  0.084  1.0
  O  O38  1  0.748  0.672  0.206  1.0
  O  O39  1  0.248  0.328  0.794  1.0
  O  O40  1  0.253  0.337  0.293  1.0
  O  O41  1  0.753  0.663  0.707  1.0
  O  O42  1  0.772  0.992  0.951  1.0
  O  O43  1  0.272  0.008  0.049  1.0
  O  O44  1  0.228  0.008  0.556  1.0
  O  O45  1  0.728  0.992  0.444  1.0
  O  O46  1  0.501  0.499  0.250  1.0
  O  O47  1  0.001  0.501  0.750  1.0
[/CIF]
.
The structure described by Sr6CaMn4O13 crystallizes in the monoclinic P2_1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(13), one O(2), one O(6), one O(7), one O(9), and two equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(5), one O(8), one O(9), and two equivalent O(3) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(1), one O(13), one O(3), one O(5), one O(6), one O(8), one O(9), and two equivalent O(11) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(10), one O(13), one O(2), one O(4), one O(5), one O(6), one O(7), and two equivalent O(12) atoms. In the fifth Sr site, Sr(5) is bonded in a body-centered cubic geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(7), one O(8), and one O(9) atom. In the sixth Sr site, Sr(6) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(6), and one O(7) atom. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(5), one O(8), and one O(9) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(3), one O(5), and one O(8) atom to form distorted face-sharing MnO5 square pyramids. In the second Mn site, Mn(2) is bonded to one O(12), one O(2), one O(4), one O(6), and one O(7) atom to form distorted face-sharing MnO5 square pyramids. In the third Mn site, Mn(3) is bonded to one O(13), one O(3), one O(5), one O(8), and one O(9) atom to form a mixture of corner and face-sharing MnO5 square pyramids. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(13), one O(4), one O(6), and one O(7) atom to form a mixture of corner and face-sharing MnO5 square pyramids. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one Sr(5), one Sr(6), one Ca(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(4), one Sr(5), one Sr(6), one Ca(1), and one Mn(2) atom. In the third O site, O(3) is bonded to one Sr(3), one Sr(5), two equivalent Sr(2), one Mn(1), and one Mn(3) atom to form distorted OSr4Mn2 octahedra that share  a cornercorner with one O(13)Sr4Mn2 octahedra,  a cornercorner with one O(4)Sr4Mn2 octahedra,  a cornercorner with one O(6)Sr4Mn2 octahedra,  a cornercorner with one O(7)Sr4Mn2 octahedra, corners with two equivalent O(3)Sr4Mn2 octahedra,  a faceface with one O(13)Sr4Mn2 octahedra, and faces with two equivalent O(8)Sr3CaMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-71°. In the fourth O site, O(4) is bonded to one Sr(4), one Sr(5), two equivalent Sr(1), one Mn(2), and one Mn(4) atom to form distorted OSr4Mn2 octahedra that share  a cornercorner with one O(8)Sr3CaMn2 octahedra,  a cornercorner with one O(13)Sr4Mn2 octahedra,  a cornercorner with one O(3)Sr4Mn2 octahedra, corners with two equivalent O(4)Sr4Mn2 octahedra, corners with two equivalent O(6)Sr4Mn2 octahedra,  a faceface with one O(13)Sr4Mn2 octahedra,  a faceface with one O(6)Sr4Mn2 octahedra, and faces with two equivalent O(7)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-71°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one Ca(1), one Mn(1), and one Mn(3) atom. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(6), one Mn(2), and one Mn(4) atom to form distorted OSr4Mn2 octahedra that share  a cornercorner with one O(8)Sr3CaMn2 octahedra,  a cornercorner with one O(13)Sr4Mn2 octahedra,  a cornercorner with one O(3)Sr4Mn2 octahedra, corners with two equivalent O(4)Sr4Mn2 octahedra, corners with two equivalent O(7)Sr4Mn2 octahedra,  a faceface with one O(13)Sr4Mn2 octahedra,  a faceface with one O(4)Sr4Mn2 octahedra, and  a faceface with one O(7)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 18-69°. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(4), one Sr(5), one Sr(6), one Mn(2), and one Mn(4) atom to form distorted OSr4Mn2 octahedra that share  a cornercorner with one O(8)Sr3CaMn2 octahedra,  a cornercorner with one O(13)Sr4Mn2 octahedra,  a cornercorner with one O(3)Sr4Mn2 octahedra, corners with two equivalent O(6)Sr4Mn2 octahedra,  an edgeedge with one O(13)Sr4Mn2 octahedra,  a faceface with one O(6)Sr4Mn2 octahedra, and faces with two equivalent O(4)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-71°. In the eighth O site, O(8) is bonded to one Sr(2), one Sr(3), one Sr(5), one Ca(1), one Mn(1), and one Mn(3) atom to form a mixture of distorted corner, face, and edge-sharing OSr3CaMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-71°. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(5), one Ca(1), and one Mn(3) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Sr(5), one Sr(6), and one Mn(4) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(6), two equivalent Sr(3), one Ca(1), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(6), two equivalent Sr(4), one Ca(1), and one Mn(2) atom. In the thirteenth O site, O(13) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mn(3), and one Mn(4) atom to form distorted OSr4Mn2 octahedra that share  a cornercorner with one O(8)Sr3CaMn2 octahedra,  a cornercorner with one O(3)Sr4Mn2 octahedra,  a cornercorner with one O(4)Sr4Mn2 octahedra,  a cornercorner with one O(6)Sr4Mn2 octahedra,  a cornercorner with one O(7)Sr4Mn2 octahedra,  an edgeedge with one O(8)Sr3CaMn2 octahedra,  an edgeedge with one O(7)Sr4Mn2 octahedra,  a faceface with one O(3)Sr4Mn2 octahedra,  a faceface with one O(4)Sr4Mn2 octahedra, and  a faceface with one O(6)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 6-70°. is represented by the CIF file [CIF]
data_Sr6CaMn4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.912
_cell_length_b   6.902
_cell_length_c   10.198
_cell_angle_alpha   85.974
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   695.933
_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
  Sr  Sr0  1  0.641  0.664  0.446  1.0
  Sr  Sr1  1  0.141  0.336  0.554  1.0
  Sr  Sr2  1  0.360  0.337  0.051  1.0
  Sr  Sr3  1  0.860  0.663  0.949  1.0
  Sr  Sr4  1  0.513  0.838  0.089  1.0
  Sr  Sr5  1  0.013  0.162  0.911  1.0
  Sr  Sr6  1  0.489  0.164  0.410  1.0
  Sr  Sr7  1  0.989  0.836  0.590  1.0
  Sr  Sr8  1  0.499  0.499  0.750  1.0
  Sr  Sr9  1  0.999  0.501  0.250  1.0
  Sr  Sr10  1  0.675  0.993  0.713  1.0
  Sr  Sr11  1  0.175  0.007  0.287  1.0
  Ca  Ca12  1  0.322  0.006  0.789  1.0
  Ca  Ca13  1  0.822  0.994  0.211  1.0
  Mn  Mn14  1  0.675  0.225  0.971  1.0
  Mn  Mn15  1  0.175  0.775  0.029  1.0
  Mn  Mn16  1  0.323  0.774  0.533  1.0
  Mn  Mn17  1  0.823  0.226  0.467  1.0
  Mn  Mn18  1  0.668  0.427  0.174  1.0
  Mn  Mn19  1  0.168  0.573  0.826  1.0
  Mn  Mn20  1  0.335  0.574  0.327  1.0
  Mn  Mn21  1  0.835  0.426  0.673  1.0
  O  O22  1  0.523  0.148  0.871  1.0
  O  O23  1  0.023  0.852  0.129  1.0
  O  O24  1  0.467  0.852  0.637  1.0
  O  O25  1  0.967  0.148  0.363  1.0
  O  O26  1  0.607  0.493  0.976  1.0
  O  O27  1  0.107  0.507  0.024  1.0
  O  O28  1  0.394  0.507  0.525  1.0
  O  O29  1  0.894  0.493  0.475  1.0
  O  O30  1  0.597  0.158  0.170  1.0
  O  O31  1  0.097  0.842  0.830  1.0
  O  O32  1  0.409  0.841  0.333  1.0
  O  O33  1  0.909  0.159  0.667  1.0
  O  O34  1  0.672  0.325  0.581  1.0
  O  O35  1  0.172  0.675  0.419  1.0
  O  O36  1  0.328  0.679  0.916  1.0
  O  O37  1  0.828  0.321  0.084  1.0
  O  O38  1  0.748  0.672  0.206  1.0
  O  O39  1  0.248  0.328  0.794  1.0
  O  O40  1  0.253  0.337  0.293  1.0
  O  O41  1  0.753  0.663  0.707  1.0
  O  O42  1  0.772  0.992  0.951  1.0
  O  O43  1  0.272  0.008  0.049  1.0
  O  O44  1  0.228  0.008  0.556  1.0
  O  O45  1  0.728  0.992  0.444  1.0
  O  O46  1  0.501  0.499  0.250  1.0
  O  O47  1  0.001  0.501  0.750  1.0
[/CIF]
.