The compound described by Sr3Ca(SnO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Ca(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 24-29°. In the second Sn site, Sn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 24-32°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Ca(1), one Sn(1), and one Sn(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ca(1), one Sn(1), and one Sn(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sn(1), and one Sn(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), one Ca(1), one Sn(1), and one Sn(2) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Sr(1), one Ca(1), and two equivalent Sn(1) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), and two equivalent Sn(2) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), and two equivalent Sn(1) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), and two equivalent Sn(2) atoms. is represented by the CIF card [CIF]
data_Sr3Ca(SnO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.144
_cell_length_b   5.748
_cell_length_c   5.803
_cell_angle_alpha   89.951
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   271.611
_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  0.000  0.005  0.967  1.0
  Sr  Sr1  1  0.500  0.508  0.531  1.0
  Sr  Sr2  1  0.500  0.991  0.037  1.0
  Ca  Ca3  1  0.000  0.489  0.453  1.0
  Sn  Sn4  1  0.248  0.500  0.999  1.0
  Sn  Sn5  1  0.753  0.999  0.500  1.0
  Sn  Sn6  1  0.752  0.500  0.999  1.0
  Sn  Sn7  1  0.247  0.999  0.500  1.0
  O  O8  1  0.206  0.215  0.216  1.0
  O  O9  1  0.800  0.295  0.706  1.0
  O  O10  1  0.710  0.792  0.790  1.0
  O  O11  1  0.291  0.713  0.286  1.0
  O  O12  1  0.290  0.792  0.790  1.0
  O  O13  1  0.709  0.713  0.286  1.0
  O  O14  1  0.794  0.215  0.216  1.0
  O  O15  1  0.200  0.295  0.706  1.0
  O  O16  1  0.000  0.577  0.038  1.0
  O  O17  1  0.000  0.902  0.519  1.0
  O  O18  1  0.500  0.422  0.978  1.0
  O  O19  1  0.500  0.076  0.484  1.0
[/CIF]
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The compound described by Sr3Ca(SnO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Ca(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 24-29°. In the second Sn site, Sn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 24-32°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Ca(1), one Sn(1), and one Sn(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ca(1), one Sn(1), and one Sn(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sn(1), and one Sn(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), one Ca(1), one Sn(1), and one Sn(2) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Sr(1), one Ca(1), and two equivalent Sn(1) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), and two equivalent Sn(2) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), and two equivalent Sn(1) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), and two equivalent Sn(2) atoms. is represented by the CIF card [CIF]
data_Sr3Ca(SnO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.144
_cell_length_b   5.748
_cell_length_c   5.803
_cell_angle_alpha   89.951
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   271.611
_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  0.000  0.005  0.967  1.0
  Sr  Sr1  1  0.500  0.508  0.531  1.0
  Sr  Sr2  1  0.500  0.991  0.037  1.0
  Ca  Ca3  1  0.000  0.489  0.453  1.0
  Sn  Sn4  1  0.248  0.500  0.999  1.0
  Sn  Sn5  1  0.753  0.999  0.500  1.0
  Sn  Sn6  1  0.752  0.500  0.999  1.0
  Sn  Sn7  1  0.247  0.999  0.500  1.0
  O  O8  1  0.206  0.215  0.216  1.0
  O  O9  1  0.800  0.295  0.706  1.0
  O  O10  1  0.710  0.792  0.790  1.0
  O  O11  1  0.291  0.713  0.286  1.0
  O  O12  1  0.290  0.792  0.790  1.0
  O  O13  1  0.709  0.713  0.286  1.0
  O  O14  1  0.794  0.215  0.216  1.0
  O  O15  1  0.200  0.295  0.706  1.0
  O  O16  1  0.000  0.577  0.038  1.0
  O  O17  1  0.000  0.902  0.519  1.0
  O  O18  1  0.500  0.422  0.978  1.0
  O  O19  1  0.500  0.076  0.484  1.0
[/CIF]
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