The crystal structure described by CaSm4V4O12 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(6), and one O(9) atom. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(5), and one O(6) atom. In the second Sm site, Sm(2) is bonded in a 7-coordinate geometry to one O(1), one O(12), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(2), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Sm site, Sm(4) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), one O(5), one O(7), and one O(8) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(2), one O(3), and one O(9) atom to form distorted corner-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 29-59°. In the second V site, V(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(3), and one O(4) atom to form corner-sharing VO6 octahedra. In the third V site, V(3) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form corner-sharing VO6 octahedra. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(5), one O(7), and one O(8) atom to form distorted corner-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 19-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Sm(2), one Sm(3), one Sm(4), one V(1), and one V(2) atom to form distorted OSm3V2 trigonal bipyramids that share  a cornercorner with one O(12)CaSm2V2 square pyramid,  a cornercorner with one O(9)CaSm2V2 trigonal bipyramid,  a cornercorner with one O(4)CaSm3V trigonal bipyramid, corners with two equivalent O(6)CaSm3V trigonal bipyramids,  an edgeedge with one O(12)CaSm2V2 square pyramid,  an edgeedge with one O(10)Sm2V2 tetrahedra,  an edgeedge with one O(9)CaSm2V2 trigonal bipyramid,  an edgeedge with one O(4)CaSm3V trigonal bipyramid, and  an edgeedge with one O(11)Sm2V2 trigonal pyramid. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(1), one Sm(3), one Sm(4), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), one Sm(1), one Sm(4), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded to one Ca(1), one Sm(1), one Sm(2), one Sm(3), and one V(2) atom to form distorted OCaSm3V trigonal bipyramids that share  a cornercorner with one O(12)CaSm2V2 square pyramid,  a cornercorner with one O(10)Sm2V2 tetrahedra,  a cornercorner with one O(6)CaSm3V trigonal bipyramid,  a cornercorner with one O(1)Sm3V2 trigonal bipyramid, corners with three equivalent O(9)CaSm2V2 trigonal bipyramids,  an edgeedge with one O(1)Sm3V2 trigonal bipyramid,  an edgeedge with one O(11)Sm2V2 trigonal pyramid,  a faceface with one O(12)CaSm2V2 square pyramid, and  a faceface with one O(6)CaSm3V trigonal bipyramid. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one Sm(4), one V(3), and one V(4) atom. In the sixth O site, O(6) is bonded to one Ca(1), one Sm(1), one Sm(2), one Sm(3), and one V(3) atom to form distorted OCaSm3V trigonal bipyramids that share  a cornercorner with one O(12)CaSm2V2 square pyramid,  a cornercorner with one O(4)CaSm3V trigonal bipyramid, corners with two equivalent O(9)CaSm2V2 trigonal bipyramids, corners with two equivalent O(1)Sm3V2 trigonal bipyramids,  a cornercorner with one O(11)Sm2V2 trigonal pyramid,  an edgeedge with one O(12)CaSm2V2 square pyramid,  an edgeedge with one O(10)Sm2V2 tetrahedra,  an edgeedge with one O(9)CaSm2V2 trigonal bipyramid, and  a faceface with one O(4)CaSm3V trigonal bipyramid. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Sm(2), one Sm(3), one Sm(4), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sm(3), one Sm(4), one V(3), and one V(4) atom. In the ninth O site, O(9) is bonded to one Ca(1), one Sm(2), one Sm(3), one V(1), and one V(3) atom to form distorted OCaSm2V2 trigonal bipyramids that share  a cornercorner with one O(12)CaSm2V2 square pyramid, corners with two equivalent O(10)Sm2V2 tetrahedra,  a cornercorner with one O(1)Sm3V2 trigonal bipyramid, corners with two equivalent O(6)CaSm3V trigonal bipyramids, corners with three equivalent O(4)CaSm3V trigonal bipyramids,  an edgeedge with one O(12)CaSm2V2 square pyramid,  an edgeedge with one O(6)CaSm3V trigonal bipyramid, and  an edgeedge with one O(1)Sm3V2 trigonal bipyramid. In the tenth O site, O(10) is bonded to one Sm(1), one Sm(4), one V(1), and one V(3) atom to form OSm2V2 tetrahedra that share  a cornercorner with one O(4)CaSm3V trigonal bipyramid, corners with two equivalent O(9)CaSm2V2 trigonal bipyramids, corners with two equivalent O(11)Sm2V2 trigonal pyramids,  an edgeedge with one O(6)CaSm3V trigonal bipyramid, and  an edgeedge with one O(1)Sm3V2 trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Sm(1), one Sm(4), one V(2), and one V(4) atom to form distorted OSm2V2 trigonal pyramids that share corners with two equivalent O(12)CaSm2V2 square pyramids, corners with two equivalent O(10)Sm2V2 tetrahedra,  a cornercorner with one O(6)CaSm3V trigonal bipyramid,  an edgeedge with one O(4)CaSm3V trigonal bipyramid, and  an edgeedge with one O(1)Sm3V2 trigonal bipyramid. In the twelfth O site, O(12) is bonded to one Ca(1), one Sm(2), one Sm(3), one V(2), and one V(4) atom to form distorted OCaSm2V2 square pyramids that share  a cornercorner with one O(9)CaSm2V2 trigonal bipyramid,  a cornercorner with one O(4)CaSm3V trigonal bipyramid,  a cornercorner with one O(6)CaSm3V trigonal bipyramid,  a cornercorner with one O(1)Sm3V2 trigonal bipyramid, corners with two equivalent O(11)Sm2V2 trigonal pyramids,  an edgeedge with one O(9)CaSm2V2 trigonal bipyramid,  an edgeedge with one O(6)CaSm3V trigonal bipyramid,  an edgeedge with one O(1)Sm3V2 trigonal bipyramid, and  a faceface with one O(4)CaSm3V trigonal bipyramid. is represented by the CIF card [CIF]
data_CaSm4V4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.852
_cell_length_b   6.142
_cell_length_c   7.726
_cell_angle_alpha   91.379
_cell_angle_beta   91.667
_cell_angle_gamma   82.086
_symmetry_Int_Tables_number   1
_cell_volume   274.847
_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  0.883  0.297  0.329  1.0
  Sm  Sm1  1  0.037  0.439  0.749  1.0
  Sm  Sm2  1  0.142  0.628  0.210  1.0
  Sm  Sm3  1  0.456  0.069  0.257  1.0
  Sm  Sm4  1  0.509  0.927  0.749  1.0
  V  V5  1  0.972  0.920  0.532  1.0
  V  V6  1  0.488  0.501  0.513  1.0
  V  V7  1  0.977  0.010  0.989  1.0
  V  V8  1  0.570  0.508  0.988  1.0
  O  O9  1  0.312  0.817  0.449  1.0
  O  O10  1  0.661  0.160  0.540  1.0
  O  O11  1  0.780  0.646  0.556  1.0
  O  O12  1  0.205  0.357  0.458  1.0
  O  O13  1  0.842  0.708  0.930  1.0
  O  O14  1  0.121  0.284  0.083  1.0
  O  O15  1  0.330  0.832  0.046  1.0
  O  O16  1  0.666  0.173  0.951  1.0
  O  O17  1  0.881  0.947  0.249  1.0
  O  O18  1  0.108  0.054  0.756  1.0
  O  O19  1  0.392  0.557  0.753  1.0
  O  O20  1  0.535  0.448  0.249  1.0
[/CIF]
.
The crystal structure described by CaSm4V4O12 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(6), and one O(9) atom. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(5), and one O(6) atom. In the second Sm site, Sm(2) is bonded in a 7-coordinate geometry to one O(1), one O(12), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(2), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Sm site, Sm(4) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), one O(5), one O(7), and one O(8) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(2), one O(3), and one O(9) atom to form distorted corner-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 29-59°. In the second V site, V(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(3), and one O(4) atom to form corner-sharing VO6 octahedra. In the third V site, V(3) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form corner-sharing VO6 octahedra. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(5), one O(7), and one O(8) atom to form distorted corner-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 19-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Sm(2), one Sm(3), one Sm(4), one V(1), and one V(2) atom to form distorted OSm3V2 trigonal bipyramids that share  a cornercorner with one O(12)CaSm2V2 square pyramid,  a cornercorner with one O(9)CaSm2V2 trigonal bipyramid,  a cornercorner with one O(4)CaSm3V trigonal bipyramid, corners with two equivalent O(6)CaSm3V trigonal bipyramids,  an edgeedge with one O(12)CaSm2V2 square pyramid,  an edgeedge with one O(10)Sm2V2 tetrahedra,  an edgeedge with one O(9)CaSm2V2 trigonal bipyramid,  an edgeedge with one O(4)CaSm3V trigonal bipyramid, and  an edgeedge with one O(11)Sm2V2 trigonal pyramid. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(1), one Sm(3), one Sm(4), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), one Sm(1), one Sm(4), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded to one Ca(1), one Sm(1), one Sm(2), one Sm(3), and one V(2) atom to form distorted OCaSm3V trigonal bipyramids that share  a cornercorner with one O(12)CaSm2V2 square pyramid,  a cornercorner with one O(10)Sm2V2 tetrahedra,  a cornercorner with one O(6)CaSm3V trigonal bipyramid,  a cornercorner with one O(1)Sm3V2 trigonal bipyramid, corners with three equivalent O(9)CaSm2V2 trigonal bipyramids,  an edgeedge with one O(1)Sm3V2 trigonal bipyramid,  an edgeedge with one O(11)Sm2V2 trigonal pyramid,  a faceface with one O(12)CaSm2V2 square pyramid, and  a faceface with one O(6)CaSm3V trigonal bipyramid. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one Sm(4), one V(3), and one V(4) atom. In the sixth O site, O(6) is bonded to one Ca(1), one Sm(1), one Sm(2), one Sm(3), and one V(3) atom to form distorted OCaSm3V trigonal bipyramids that share  a cornercorner with one O(12)CaSm2V2 square pyramid,  a cornercorner with one O(4)CaSm3V trigonal bipyramid, corners with two equivalent O(9)CaSm2V2 trigonal bipyramids, corners with two equivalent O(1)Sm3V2 trigonal bipyramids,  a cornercorner with one O(11)Sm2V2 trigonal pyramid,  an edgeedge with one O(12)CaSm2V2 square pyramid,  an edgeedge with one O(10)Sm2V2 tetrahedra,  an edgeedge with one O(9)CaSm2V2 trigonal bipyramid, and  a faceface with one O(4)CaSm3V trigonal bipyramid. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Sm(2), one Sm(3), one Sm(4), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sm(3), one Sm(4), one V(3), and one V(4) atom. In the ninth O site, O(9) is bonded to one Ca(1), one Sm(2), one Sm(3), one V(1), and one V(3) atom to form distorted OCaSm2V2 trigonal bipyramids that share  a cornercorner with one O(12)CaSm2V2 square pyramid, corners with two equivalent O(10)Sm2V2 tetrahedra,  a cornercorner with one O(1)Sm3V2 trigonal bipyramid, corners with two equivalent O(6)CaSm3V trigonal bipyramids, corners with three equivalent O(4)CaSm3V trigonal bipyramids,  an edgeedge with one O(12)CaSm2V2 square pyramid,  an edgeedge with one O(6)CaSm3V trigonal bipyramid, and  an edgeedge with one O(1)Sm3V2 trigonal bipyramid. In the tenth O site, O(10) is bonded to one Sm(1), one Sm(4), one V(1), and one V(3) atom to form OSm2V2 tetrahedra that share  a cornercorner with one O(4)CaSm3V trigonal bipyramid, corners with two equivalent O(9)CaSm2V2 trigonal bipyramids, corners with two equivalent O(11)Sm2V2 trigonal pyramids,  an edgeedge with one O(6)CaSm3V trigonal bipyramid, and  an edgeedge with one O(1)Sm3V2 trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Sm(1), one Sm(4), one V(2), and one V(4) atom to form distorted OSm2V2 trigonal pyramids that share corners with two equivalent O(12)CaSm2V2 square pyramids, corners with two equivalent O(10)Sm2V2 tetrahedra,  a cornercorner with one O(6)CaSm3V trigonal bipyramid,  an edgeedge with one O(4)CaSm3V trigonal bipyramid, and  an edgeedge with one O(1)Sm3V2 trigonal bipyramid. In the twelfth O site, O(12) is bonded to one Ca(1), one Sm(2), one Sm(3), one V(2), and one V(4) atom to form distorted OCaSm2V2 square pyramids that share  a cornercorner with one O(9)CaSm2V2 trigonal bipyramid,  a cornercorner with one O(4)CaSm3V trigonal bipyramid,  a cornercorner with one O(6)CaSm3V trigonal bipyramid,  a cornercorner with one O(1)Sm3V2 trigonal bipyramid, corners with two equivalent O(11)Sm2V2 trigonal pyramids,  an edgeedge with one O(9)CaSm2V2 trigonal bipyramid,  an edgeedge with one O(6)CaSm3V trigonal bipyramid,  an edgeedge with one O(1)Sm3V2 trigonal bipyramid, and  a faceface with one O(4)CaSm3V trigonal bipyramid. is represented by the CIF card [CIF]
data_CaSm4V4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.852
_cell_length_b   6.142
_cell_length_c   7.726
_cell_angle_alpha   91.379
_cell_angle_beta   91.667
_cell_angle_gamma   82.086
_symmetry_Int_Tables_number   1
_cell_volume   274.847
_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  0.883  0.297  0.329  1.0
  Sm  Sm1  1  0.037  0.439  0.749  1.0
  Sm  Sm2  1  0.142  0.628  0.210  1.0
  Sm  Sm3  1  0.456  0.069  0.257  1.0
  Sm  Sm4  1  0.509  0.927  0.749  1.0
  V  V5  1  0.972  0.920  0.532  1.0
  V  V6  1  0.488  0.501  0.513  1.0
  V  V7  1  0.977  0.010  0.989  1.0
  V  V8  1  0.570  0.508  0.988  1.0
  O  O9  1  0.312  0.817  0.449  1.0
  O  O10  1  0.661  0.160  0.540  1.0
  O  O11  1  0.780  0.646  0.556  1.0
  O  O12  1  0.205  0.357  0.458  1.0
  O  O13  1  0.842  0.708  0.930  1.0
  O  O14  1  0.121  0.284  0.083  1.0
  O  O15  1  0.330  0.832  0.046  1.0
  O  O16  1  0.666  0.173  0.951  1.0
  O  O17  1  0.881  0.947  0.249  1.0
  O  O18  1  0.108  0.054  0.756  1.0
  O  O19  1  0.392  0.557  0.753  1.0
  O  O20  1  0.535  0.448  0.249  1.0
[/CIF]
.