The compound described by CaTm4Sm4O12 crystallizes in the monoclinic Pm space group. Ca(1) is bonded to one O(4), one O(8), and two equivalent O(7) atoms to form distorted CaO4 tetrahedra that share corners with four equivalent Tm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-75°. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form TmO6 octahedra that share corners with two equivalent Tm(1)O6 octahedra and corners with two equivalent Ca(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-47°. In the second Tm site, Tm(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 3-coordinate geometry to one O(4), two equivalent O(3), and two equivalent O(7) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the third Sm site, Sm(3) is bonded in a 6-coordinate geometry to one O(4), one O(8), two equivalent O(3), and two equivalent O(7) atoms. In the fourth Sm site, Sm(4) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tm(1), one Sm(2), and one Sm(4) atom to form distorted OSm2Tm2 trigonal pyramids that share corners with two equivalent O(8)CaSmTm2 trigonal pyramids, corners with two equivalent O(2)Sm2Tm2 trigonal pyramids, and edges with two equivalent O(2)Sm2Tm2 trigonal pyramids. In the second O site, O(2) is bonded to one Tm(1), one Tm(2), one Sm(2), and one Sm(4) atom to form distorted OSm2Tm2 trigonal pyramids that share  a cornercorner with one O(8)CaSmTm2 trigonal pyramid,  a cornercorner with one O(1)Sm2Tm2 trigonal pyramid,  an edgeedge with one O(1)Sm2Tm2 trigonal pyramid, and  an edgeedge with one O(2)Sm2Tm2 trigonal pyramid. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Tm(1), one Tm(2), one Sm(1), one Sm(2), and one Sm(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Tm(2), one Sm(1), and one Sm(3) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to two equivalent Tm(2), one Sm(2), and one Sm(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Tm(1), one Tm(2), one Sm(2), and one Sm(4) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ca(1), one Tm(1), one Tm(2), one Sm(1), one Sm(3), and one Sm(4) atom. In the eighth O site, O(8) is bonded to one Ca(1), two equivalent Tm(1), and one Sm(3) atom to form distorted corner-sharing OCaSmTm2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaSm4Tm4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.157
_cell_length_b   8.541
_cell_length_c   5.873
_cell_angle_alpha   90.000
_cell_angle_beta   90.736
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   308.816
_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
  Ca  Ca0  1  0.744  0.250  0.087  1.0
  Sm  Sm1  1  0.172  0.250  0.919  1.0
  Sm  Sm2  1  0.426  0.750  0.458  1.0
  Sm  Sm3  1  0.556  0.250  0.567  1.0
  Sm  Sm4  1  0.943  0.750  0.014  1.0
  Tm  Tm5  1  0.988  0.995  0.501  1.0
  Tm  Tm6  1  0.988  0.505  0.501  1.0
  Tm  Tm7  1  0.485  0.969  0.983  1.0
  Tm  Tm8  1  0.485  0.531  0.983  1.0
  O  O9  1  0.059  0.750  0.639  1.0
  O  O10  1  0.196  0.584  0.193  1.0
  O  O11  1  0.196  0.916  0.193  1.0
  O  O12  1  0.303  0.452  0.674  1.0
  O  O13  1  0.303  0.048  0.674  1.0
  O  O14  1  0.401  0.250  0.209  1.0
  O  O15  1  0.565  0.750  0.831  1.0
  O  O16  1  0.695  0.922  0.285  1.0
  O  O17  1  0.695  0.578  0.285  1.0
  O  O18  1  0.810  0.058  0.822  1.0
  O  O19  1  0.810  0.442  0.822  1.0
  O  O20  1  0.918  0.250  0.423  1.0
[/CIF]
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The compound described by CaTm4Sm4O12 crystallizes in the monoclinic Pm space group. Ca(1) is bonded to one O(4), one O(8), and two equivalent O(7) atoms to form distorted CaO4 tetrahedra that share corners with four equivalent Tm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-75°. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form TmO6 octahedra that share corners with two equivalent Tm(1)O6 octahedra and corners with two equivalent Ca(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-47°. In the second Tm site, Tm(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 3-coordinate geometry to one O(4), two equivalent O(3), and two equivalent O(7) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the third Sm site, Sm(3) is bonded in a 6-coordinate geometry to one O(4), one O(8), two equivalent O(3), and two equivalent O(7) atoms. In the fourth Sm site, Sm(4) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tm(1), one Sm(2), and one Sm(4) atom to form distorted OSm2Tm2 trigonal pyramids that share corners with two equivalent O(8)CaSmTm2 trigonal pyramids, corners with two equivalent O(2)Sm2Tm2 trigonal pyramids, and edges with two equivalent O(2)Sm2Tm2 trigonal pyramids. In the second O site, O(2) is bonded to one Tm(1), one Tm(2), one Sm(2), and one Sm(4) atom to form distorted OSm2Tm2 trigonal pyramids that share  a cornercorner with one O(8)CaSmTm2 trigonal pyramid,  a cornercorner with one O(1)Sm2Tm2 trigonal pyramid,  an edgeedge with one O(1)Sm2Tm2 trigonal pyramid, and  an edgeedge with one O(2)Sm2Tm2 trigonal pyramid. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Tm(1), one Tm(2), one Sm(1), one Sm(2), and one Sm(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Tm(2), one Sm(1), and one Sm(3) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to two equivalent Tm(2), one Sm(2), and one Sm(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Tm(1), one Tm(2), one Sm(2), and one Sm(4) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ca(1), one Tm(1), one Tm(2), one Sm(1), one Sm(3), and one Sm(4) atom. In the eighth O site, O(8) is bonded to one Ca(1), two equivalent Tm(1), and one Sm(3) atom to form distorted corner-sharing OCaSmTm2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaSm4Tm4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.157
_cell_length_b   8.541
_cell_length_c   5.873
_cell_angle_alpha   90.000
_cell_angle_beta   90.736
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   308.816
_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
  Ca  Ca0  1  0.744  0.250  0.087  1.0
  Sm  Sm1  1  0.172  0.250  0.919  1.0
  Sm  Sm2  1  0.426  0.750  0.458  1.0
  Sm  Sm3  1  0.556  0.250  0.567  1.0
  Sm  Sm4  1  0.943  0.750  0.014  1.0
  Tm  Tm5  1  0.988  0.995  0.501  1.0
  Tm  Tm6  1  0.988  0.505  0.501  1.0
  Tm  Tm7  1  0.485  0.969  0.983  1.0
  Tm  Tm8  1  0.485  0.531  0.983  1.0
  O  O9  1  0.059  0.750  0.639  1.0
  O  O10  1  0.196  0.584  0.193  1.0
  O  O11  1  0.196  0.916  0.193  1.0
  O  O12  1  0.303  0.452  0.674  1.0
  O  O13  1  0.303  0.048  0.674  1.0
  O  O14  1  0.401  0.250  0.209  1.0
  O  O15  1  0.565  0.750  0.831  1.0
  O  O16  1  0.695  0.922  0.285  1.0
  O  O17  1  0.695  0.578  0.285  1.0
  O  O18  1  0.810  0.058  0.822  1.0
  O  O19  1  0.810  0.442  0.822  1.0
  O  O20  1  0.918  0.250  0.423  1.0
[/CIF]
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