The material described by SrCaV(PO4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 1-coordinate geometry to one O(2), one O(3), one O(6), and two equivalent O(1) atoms. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom. V(1) is bonded in a 3-coordinate geometry to one O(4), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(7) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one O(4), one O(5), one O(6), and one O(8) atom. 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 3-coordinate geometry to one Sr(1), one Ca(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Sr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ca(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Ca(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Sr(1), one Ca(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-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 distorted bent 120 degrees geometry to one V(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [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  0.752  0.055  1.0
  Sr  Sr1  1  0.741  0.248  0.945  1.0
  Ca  Ca2  1  1.000  0.757  0.661  1.0
  Ca  Ca3  1  0.000  0.243  0.339  1.0
  V  V4  1  0.653  0.289  0.564  1.0
  V  V5  1  0.347  0.711  0.436  1.0
  P  P6  1  0.390  0.192  0.223  1.0
  P  P7  1  0.610  0.808  0.777  1.0
  P  P8  1  0.838  0.732  0.298  1.0
  P  P9  1  0.162  0.268  0.702  1.0
  O  O10  1  0.837  0.675  0.880  1.0
  O  O11  1  0.623  0.281  0.169  1.0
  O  O12  1  0.664  0.034  0.771  1.0
  O  O13  1  0.969  0.407  0.702  1.0
  O  O14  1  0.377  0.719  0.831  1.0
  O  O15  1  0.008  0.148  0.594  1.0
  O  O16  1  0.992  0.852  0.406  1.0
  O  O17  1  0.273  0.128  0.865  1.0
  O  O18  1  0.336  0.966  0.229  1.0
  O  O19  1  0.727  0.872  0.135  1.0
  O  O20  1  0.163  0.325  0.120  1.0
  O  O21  1  0.416  0.195  0.387  1.0
  O  O22  1  0.584  0.805  0.613  1.0
  O  O23  1  0.637  0.595  0.374  1.0
  O  O24  1  0.031  0.593  0.298  1.0
  O  O25  1  0.363  0.405  0.626  1.0
[/CIF]
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The material described by SrCaV(PO4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 1-coordinate geometry to one O(2), one O(3), one O(6), and two equivalent O(1) atoms. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom. V(1) is bonded in a 3-coordinate geometry to one O(4), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(7) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one O(4), one O(5), one O(6), and one O(8) atom. 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 3-coordinate geometry to one Sr(1), one Ca(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Sr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ca(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Ca(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Sr(1), one Ca(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-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 distorted bent 120 degrees geometry to one V(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [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  0.752  0.055  1.0
  Sr  Sr1  1  0.741  0.248  0.945  1.0
  Ca  Ca2  1  1.000  0.757  0.661  1.0
  Ca  Ca3  1  0.000  0.243  0.339  1.0
  V  V4  1  0.653  0.289  0.564  1.0
  V  V5  1  0.347  0.711  0.436  1.0
  P  P6  1  0.390  0.192  0.223  1.0
  P  P7  1  0.610  0.808  0.777  1.0
  P  P8  1  0.838  0.732  0.298  1.0
  P  P9  1  0.162  0.268  0.702  1.0
  O  O10  1  0.837  0.675  0.880  1.0
  O  O11  1  0.623  0.281  0.169  1.0
  O  O12  1  0.664  0.034  0.771  1.0
  O  O13  1  0.969  0.407  0.702  1.0
  O  O14  1  0.377  0.719  0.831  1.0
  O  O15  1  0.008  0.148  0.594  1.0
  O  O16  1  0.992  0.852  0.406  1.0
  O  O17  1  0.273  0.128  0.865  1.0
  O  O18  1  0.336  0.966  0.229  1.0
  O  O19  1  0.727  0.872  0.135  1.0
  O  O20  1  0.163  0.325  0.120  1.0
  O  O21  1  0.416  0.195  0.387  1.0
  O  O22  1  0.584  0.805  0.613  1.0
  O  O23  1  0.637  0.595  0.374  1.0
  O  O24  1  0.031  0.593  0.298  1.0
  O  O25  1  0.363  0.405  0.626  1.0
[/CIF]
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