The material structure described by Sr2CaV2(Si2O7)2 crystallizes in the monoclinic C2 space group. Sr(1) is bonded in a 11-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms. V(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form corner-sharing SiO4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Sr(1), one Si(1), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ca(1) and two equivalent Si(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Si(2) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one Ca(1), one V(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one V(1), and one Si(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 V(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one V(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to two equivalent Sr(1), one Ca(1), one V(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_Sr2CaV2(Si2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.526
_cell_length_b   7.372
_cell_length_c   7.936
_cell_angle_alpha   93.932
_cell_angle_beta   110.372
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   302.236
_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
  Sr  Sr0  1  0.194  0.776  0.401  1.0
  Sr  Sr1  1  0.792  0.224  0.599  1.0
  Ca  Ca2  1  0.066  0.500  0.000  1.0
  V  V3  1  0.881  0.784  0.776  1.0
  V  V4  1  0.105  0.216  0.224  1.0
  Si  Si5  1  0.414  0.475  0.780  1.0
  Si  Si6  1  0.634  0.525  0.220  1.0
  Si  Si7  1  0.601  0.967  0.213  1.0
  Si  Si8  1  0.387  0.033  0.787  1.0
  O  O9  1  0.642  0.750  0.271  1.0
  O  O10  1  0.371  0.250  0.729  1.0
  O  O11  1  0.532  0.500  0.000  1.0
  O  O12  1  0.491  0.000  0.000  1.0
  O  O13  1  0.630  0.549  0.704  1.0
  O  O14  1  0.926  0.451  0.296  1.0
  O  O15  1  0.406  0.049  0.314  1.0
  O  O16  1  0.093  0.951  0.686  1.0
  O  O17  1  0.977  0.213  0.977  1.0
  O  O18  1  1.000  0.787  0.023  1.0
  O  O19  1  0.886  0.060  0.317  1.0
  O  O20  1  0.570  0.940  0.683  1.0
  O  O21  1  0.129  0.561  0.722  1.0
  O  O22  1  0.407  0.439  0.278  1.0
[/CIF]
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The material structure described by Sr2CaV2(Si2O7)2 crystallizes in the monoclinic C2 space group. Sr(1) is bonded in a 11-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms. V(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form corner-sharing SiO4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Sr(1), one Si(1), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ca(1) and two equivalent Si(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Si(2) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one Ca(1), one V(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one V(1), and one Si(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 V(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one V(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to two equivalent Sr(1), one Ca(1), one V(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_Sr2CaV2(Si2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.526
_cell_length_b   7.372
_cell_length_c   7.936
_cell_angle_alpha   93.932
_cell_angle_beta   110.372
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   302.236
_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
  Sr  Sr0  1  0.194  0.776  0.401  1.0
  Sr  Sr1  1  0.792  0.224  0.599  1.0
  Ca  Ca2  1  0.066  0.500  0.000  1.0
  V  V3  1  0.881  0.784  0.776  1.0
  V  V4  1  0.105  0.216  0.224  1.0
  Si  Si5  1  0.414  0.475  0.780  1.0
  Si  Si6  1  0.634  0.525  0.220  1.0
  Si  Si7  1  0.601  0.967  0.213  1.0
  Si  Si8  1  0.387  0.033  0.787  1.0
  O  O9  1  0.642  0.750  0.271  1.0
  O  O10  1  0.371  0.250  0.729  1.0
  O  O11  1  0.532  0.500  0.000  1.0
  O  O12  1  0.491  0.000  0.000  1.0
  O  O13  1  0.630  0.549  0.704  1.0
  O  O14  1  0.926  0.451  0.296  1.0
  O  O15  1  0.406  0.049  0.314  1.0
  O  O16  1  0.093  0.951  0.686  1.0
  O  O17  1  0.977  0.213  0.977  1.0
  O  O18  1  1.000  0.787  0.023  1.0
  O  O19  1  0.886  0.060  0.317  1.0
  O  O20  1  0.570  0.940  0.683  1.0
  O  O21  1  0.129  0.561  0.722  1.0
  O  O22  1  0.407  0.439  0.278  1.0
[/CIF]
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