The material structure described by SrCaV(PO4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(8), two equivalent O(1), and two equivalent O(6) atoms. Ca(1) is bonded to one O(1), one O(2), one O(4), one O(7), and two equivalent O(5) atoms to form distorted CaO6 octahedra that share corners with four equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Ca(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-81°. V(1) is bonded to one O(3), one O(4), one O(5), one O(7), and two equivalent O(8) atoms to form distorted VO6 octahedra that share corners with four equivalent Ca(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-81°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  an edgeedge with one Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-59°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent Ca(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ca(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Sr(1), one Ca(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one V(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one V(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sr(1), two equivalent V(1), and one P(2) atom. is represented by the CIF card [CIF]
data_SrCaV(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.745
_cell_length_b   6.982
_cell_length_c   9.638
_cell_angle_alpha   109.925
_cell_angle_beta   101.069
_cell_angle_gamma   98.271
_symmetry_Int_Tables_number   1
_cell_volume   347.354
_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  0.259  0.807  0.055  1.0
  Sr  Sr1  1  0.741  0.193  0.945  1.0
  Ca  Ca2  1  1.000  0.418  0.661  1.0
  Ca  Ca3  1  0.000  0.582  0.339  1.0
  V  V4  1  0.653  0.852  0.564  1.0
  V  V5  1  0.347  0.148  0.436  1.0
  P  P6  1  0.390  0.415  0.223  1.0
  P  P7  1  0.610  0.585  0.777  1.0
  P  P8  1  0.838  0.030  0.298  1.0
  P  P9  1  0.162  0.970  0.702  1.0
  O  O10  1  0.837  0.555  0.880  1.0
  O  O11  1  0.623  0.450  0.169  1.0
  O  O12  1  0.664  0.805  0.771  1.0
  O  O13  1  0.969  0.109  0.702  1.0
  O  O14  1  0.377  0.550  0.831  1.0
  O  O15  1  0.008  0.742  0.594  1.0
  O  O16  1  0.992  0.258  0.406  1.0
  O  O17  1  0.273  0.993  0.865  1.0
  O  O18  1  0.336  0.195  0.229  1.0
  O  O19  1  0.727  0.007  0.135  1.0
  O  O20  1  0.163  0.445  0.120  1.0
  O  O21  1  0.416  0.581  0.387  1.0
  O  O22  1  0.584  0.419  0.613  1.0
  O  O23  1  0.637  0.969  0.374  1.0
  O  O24  1  0.031  0.891  0.298  1.0
  O  O25  1  0.363  0.031  0.626  1.0
[/CIF]
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The material structure described by SrCaV(PO4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(8), two equivalent O(1), and two equivalent O(6) atoms. Ca(1) is bonded to one O(1), one O(2), one O(4), one O(7), and two equivalent O(5) atoms to form distorted CaO6 octahedra that share corners with four equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Ca(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-81°. V(1) is bonded to one O(3), one O(4), one O(5), one O(7), and two equivalent O(8) atoms to form distorted VO6 octahedra that share corners with four equivalent Ca(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-81°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  an edgeedge with one Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-59°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent Ca(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ca(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Sr(1), one Ca(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one V(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one V(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sr(1), two equivalent V(1), and one P(2) atom. is represented by the CIF card [CIF]
data_SrCaV(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.745
_cell_length_b   6.982
_cell_length_c   9.638
_cell_angle_alpha   109.925
_cell_angle_beta   101.069
_cell_angle_gamma   98.271
_symmetry_Int_Tables_number   1
_cell_volume   347.354
_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  0.259  0.807  0.055  1.0
  Sr  Sr1  1  0.741  0.193  0.945  1.0
  Ca  Ca2  1  1.000  0.418  0.661  1.0
  Ca  Ca3  1  0.000  0.582  0.339  1.0
  V  V4  1  0.653  0.852  0.564  1.0
  V  V5  1  0.347  0.148  0.436  1.0
  P  P6  1  0.390  0.415  0.223  1.0
  P  P7  1  0.610  0.585  0.777  1.0
  P  P8  1  0.838  0.030  0.298  1.0
  P  P9  1  0.162  0.970  0.702  1.0
  O  O10  1  0.837  0.555  0.880  1.0
  O  O11  1  0.623  0.450  0.169  1.0
  O  O12  1  0.664  0.805  0.771  1.0
  O  O13  1  0.969  0.109  0.702  1.0
  O  O14  1  0.377  0.550  0.831  1.0
  O  O15  1  0.008  0.742  0.594  1.0
  O  O16  1  0.992  0.258  0.406  1.0
  O  O17  1  0.273  0.993  0.865  1.0
  O  O18  1  0.336  0.195  0.229  1.0
  O  O19  1  0.727  0.007  0.135  1.0
  O  O20  1  0.163  0.445  0.120  1.0
  O  O21  1  0.416  0.581  0.387  1.0
  O  O22  1  0.584  0.419  0.613  1.0
  O  O23  1  0.637  0.969  0.374  1.0
  O  O24  1  0.031  0.891  0.298  1.0
  O  O25  1  0.363  0.031  0.626  1.0
[/CIF]
.