The structure described by Sr3CaV4O12 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(3), two equivalent O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Ca(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent V(2)O6 octahedra, faces with two equivalent V(3)O6 octahedra, faces with two equivalent V(4)O6 octahedra, and faces with two equivalent V(5)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), one O(5), one O(6), one O(7), one O(8), one O(9), and two equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra,  a faceface with one V(4)O6 octahedra,  a faceface with one V(5)O6 octahedra, faces with two equivalent V(1)O6 octahedra, faces with two equivalent V(2)O6 octahedra, and faces with two equivalent V(3)O6 octahedra. Ca(1) is bonded to two equivalent O(10), two equivalent O(11), two equivalent O(2), two equivalent O(3), two equivalent O(8), and two equivalent O(9) atoms to form CaO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Ca(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent V(2)O6 octahedra, faces with two equivalent V(3)O6 octahedra, and faces with four equivalent V(1)O6 octahedra. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(8), one O(9), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with four equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second V site, V(2) is bonded to one O(10), one O(4), one O(7), one O(8), and two equivalent O(3) atoms to form VO6 octahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the third V site, V(3) is bonded to one O(11), one O(5), one O(6), one O(9), and two equivalent O(3) atoms to form VO6 octahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth V site, V(5) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one V(4), and one V(5) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(2), two equivalent Ca(1), and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to one Sr(1), two equivalent Sr(2), one Ca(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one V(2), and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one V(3), and one V(5) atom. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Sr(2), one V(3), and one V(4) atom to form a mixture of distorted corner and edge-sharing OSr4V2 octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(7) is bonded to two equivalent Sr(1), two equivalent Sr(2), one V(2), and one V(5) atom to form a mixture of distorted corner and edge-sharing OSr4V2 octahedra. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded in a distorted linear geometry to two equivalent Sr(2), two equivalent Ca(1), one V(1), and one V(2) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to two equivalent Sr(2), two equivalent Ca(1), one V(1), and one V(3) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to two equivalent Sr(2), two equivalent Ca(1), one V(1), and one V(2) atom. In the eleventh O site, O(11) is bonded in a distorted linear geometry to two equivalent Sr(2), two equivalent Ca(1), one V(1), and one V(3) atom. is represented by the CIF card [CIF]
data_Sr3CaV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.896
_cell_length_b   5.521
_cell_length_c   11.017
_cell_angle_alpha   89.751
_cell_angle_beta   89.986
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   236.977
_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  0.500  0.500  1.000  1.0
  O  O1  1  0.500  0.000  0.500  1.0
  O  O2  1  0.500  1.000  0.000  1.0
  O  O3  1  0.500  0.497  0.243  1.0
  O  O4  1  0.500  0.503  0.757  1.0
  O  O5  1  0.000  0.249  0.375  1.0
  O  O6  1  1.000  0.751  0.625  1.0
  O  O7  1  1.000  0.255  0.627  1.0
  O  O8  1  0.000  0.745  0.373  1.0
  O  O9  1  0.001  0.746  0.123  1.0
  O  O10  1  0.999  0.254  0.877  1.0
  O  O11  1  0.000  0.251  0.123  1.0
  O  O12  1  1.000  0.749  0.876  1.0
  Sr  Sr13  1  0.500  0.500  0.500  1.0
  Sr  Sr14  1  0.500  0.000  0.751  1.0
  Sr  Sr15  1  0.500  1.000  0.250  1.0
  V  V16  1  0.000  0.000  0.000  1.0
  V  V17  1  0.000  0.500  0.246  1.0
  V  V18  1  1.000  0.500  0.754  1.0
  V  V19  1  1.000  1.000  0.500  1.0
[/CIF]
.
The structure described by Sr3CaV4O12 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(3), two equivalent O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Ca(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent V(2)O6 octahedra, faces with two equivalent V(3)O6 octahedra, faces with two equivalent V(4)O6 octahedra, and faces with two equivalent V(5)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), one O(5), one O(6), one O(7), one O(8), one O(9), and two equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra,  a faceface with one V(4)O6 octahedra,  a faceface with one V(5)O6 octahedra, faces with two equivalent V(1)O6 octahedra, faces with two equivalent V(2)O6 octahedra, and faces with two equivalent V(3)O6 octahedra. Ca(1) is bonded to two equivalent O(10), two equivalent O(11), two equivalent O(2), two equivalent O(3), two equivalent O(8), and two equivalent O(9) atoms to form CaO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Ca(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent V(2)O6 octahedra, faces with two equivalent V(3)O6 octahedra, and faces with four equivalent V(1)O6 octahedra. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(8), one O(9), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with four equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second V site, V(2) is bonded to one O(10), one O(4), one O(7), one O(8), and two equivalent O(3) atoms to form VO6 octahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the third V site, V(3) is bonded to one O(11), one O(5), one O(6), one O(9), and two equivalent O(3) atoms to form VO6 octahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth V site, V(5) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one V(4), and one V(5) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(2), two equivalent Ca(1), and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to one Sr(1), two equivalent Sr(2), one Ca(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one V(2), and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one V(3), and one V(5) atom. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Sr(2), one V(3), and one V(4) atom to form a mixture of distorted corner and edge-sharing OSr4V2 octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(7) is bonded to two equivalent Sr(1), two equivalent Sr(2), one V(2), and one V(5) atom to form a mixture of distorted corner and edge-sharing OSr4V2 octahedra. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded in a distorted linear geometry to two equivalent Sr(2), two equivalent Ca(1), one V(1), and one V(2) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to two equivalent Sr(2), two equivalent Ca(1), one V(1), and one V(3) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to two equivalent Sr(2), two equivalent Ca(1), one V(1), and one V(2) atom. In the eleventh O site, O(11) is bonded in a distorted linear geometry to two equivalent Sr(2), two equivalent Ca(1), one V(1), and one V(3) atom. is represented by the CIF card [CIF]
data_Sr3CaV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.896
_cell_length_b   5.521
_cell_length_c   11.017
_cell_angle_alpha   89.751
_cell_angle_beta   89.986
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   236.977
_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  0.500  0.500  1.000  1.0
  O  O1  1  0.500  0.000  0.500  1.0
  O  O2  1  0.500  1.000  0.000  1.0
  O  O3  1  0.500  0.497  0.243  1.0
  O  O4  1  0.500  0.503  0.757  1.0
  O  O5  1  0.000  0.249  0.375  1.0
  O  O6  1  1.000  0.751  0.625  1.0
  O  O7  1  1.000  0.255  0.627  1.0
  O  O8  1  0.000  0.745  0.373  1.0
  O  O9  1  0.001  0.746  0.123  1.0
  O  O10  1  0.999  0.254  0.877  1.0
  O  O11  1  0.000  0.251  0.123  1.0
  O  O12  1  1.000  0.749  0.876  1.0
  Sr  Sr13  1  0.500  0.500  0.500  1.0
  Sr  Sr14  1  0.500  0.000  0.751  1.0
  Sr  Sr15  1  0.500  1.000  0.250  1.0
  V  V16  1  0.000  0.000  0.000  1.0
  V  V17  1  0.000  0.500  0.246  1.0
  V  V18  1  1.000  0.500  0.754  1.0
  V  V19  1  1.000  1.000  0.500  1.0
[/CIF]
.