The material structure described by SrCa3(CuO3)2 crystallizes in the monoclinic Cm space group. Sr(1) is bonded to one O(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted SrO7 pentagonal bipyramids that share corners with four equivalent Ca(1)O7 pentagonal bipyramids, edges with two equivalent Sr(1)O7 pentagonal bipyramids, and faces with two equivalent Ca(1)O7 pentagonal bipyramids. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted CaO7 pentagonal bipyramids that share corners with four equivalent Sr(1)O7 pentagonal bipyramids, edges with two equivalent Ca(1)O7 pentagonal bipyramids, and faces with two equivalent Sr(1)O7 pentagonal bipyramids. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(2), one O(4), and two equivalent O(6) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(1), one O(3), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), two equivalent Ca(2), two equivalent Ca(3), and one Cu(2) atom to form OCa5Cu octahedra that share  a cornercorner with one O(3)Sr2Ca3Cu octahedra,  a cornercorner with one O(5)SrCa3Cu2 octahedra, corners with four equivalent O(2)SrCa4Cu octahedra, corners with five equivalent O(6)SrCa3Cu2 octahedra, edges with two equivalent O(1)Ca5Cu octahedra, edges with two equivalent O(3)Sr2Ca3Cu octahedra, edges with two equivalent O(4)Sr2Ca3Cu octahedra, edges with two equivalent O(2)SrCa4Cu octahedra, and faces with two equivalent O(5)SrCa3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to one Sr(1), two equivalent Ca(2), two equivalent Ca(3), and one Cu(1) atom to form OSrCa4Cu octahedra that share  a cornercorner with one O(4)Sr2Ca3Cu octahedra,  a cornercorner with one O(6)SrCa3Cu2 octahedra, corners with four equivalent O(1)Ca5Cu octahedra, corners with five equivalent O(5)SrCa3Cu2 octahedra, edges with two equivalent O(1)Ca5Cu octahedra, edges with two equivalent O(3)Sr2Ca3Cu octahedra, edges with two equivalent O(4)Sr2Ca3Cu octahedra, edges with two equivalent O(2)SrCa4Cu octahedra, and faces with two equivalent O(6)SrCa3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the third O site, O(3) is bonded to two equivalent Sr(1), one Ca(3), two equivalent Ca(1), and one Cu(2) atom to form OSr2Ca3Cu octahedra that share  a cornercorner with one O(1)Ca5Cu octahedra,  a cornercorner with one O(5)SrCa3Cu2 octahedra, corners with four equivalent O(4)Sr2Ca3Cu octahedra, corners with five equivalent O(6)SrCa3Cu2 octahedra, edges with two equivalent O(1)Ca5Cu octahedra, edges with two equivalent O(3)Sr2Ca3Cu octahedra, edges with two equivalent O(4)Sr2Ca3Cu octahedra, edges with two equivalent O(2)SrCa4Cu octahedra, and faces with two equivalent O(5)SrCa3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), one Ca(2), two equivalent Ca(1), and one Cu(1) atom to form OSr2Ca3Cu octahedra that share  a cornercorner with one O(6)SrCa3Cu2 octahedra,  a cornercorner with one O(2)SrCa4Cu octahedra, corners with four equivalent O(3)Sr2Ca3Cu octahedra, corners with five equivalent O(5)SrCa3Cu2 octahedra, edges with two equivalent O(1)Ca5Cu octahedra, edges with two equivalent O(3)Sr2Ca3Cu octahedra, edges with two equivalent O(4)Sr2Ca3Cu octahedra, edges with two equivalent O(2)SrCa4Cu octahedra, and faces with two equivalent O(6)SrCa3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fifth O site, O(5) is bonded to one Sr(1), one Ca(1), one Ca(2), one Ca(3), and two equivalent Cu(2) atoms to form OSrCa3Cu2 octahedra that share  a cornercorner with one O(1)Ca5Cu octahedra,  a cornercorner with one O(3)Sr2Ca3Cu octahedra, corners with two equivalent O(5)SrCa3Cu2 octahedra, corners with five equivalent O(4)Sr2Ca3Cu octahedra, corners with five equivalent O(2)SrCa4Cu octahedra, edges with two equivalent O(6)SrCa3Cu2 octahedra, faces with two equivalent O(1)Ca5Cu octahedra, and faces with two equivalent O(3)Sr2Ca3Cu octahedra. The corner-sharing octahedral tilt angles range from 2-62°. In the sixth O site, O(6) is bonded to one Sr(1), one Ca(1), one Ca(2), one Ca(3), and two equivalent Cu(1) atoms to form OSrCa3Cu2 octahedra that share  a cornercorner with one O(4)Sr2Ca3Cu octahedra,  a cornercorner with one O(2)SrCa4Cu octahedra, corners with two equivalent O(6)SrCa3Cu2 octahedra, corners with five equivalent O(1)Ca5Cu octahedra, corners with five equivalent O(3)Sr2Ca3Cu octahedra, edges with two equivalent O(5)SrCa3Cu2 octahedra, faces with two equivalent O(4)Sr2Ca3Cu octahedra, and faces with two equivalent O(2)SrCa4Cu octahedra. The corner-sharing octahedral tilt angles range from 3-62°. is represented by the CIF card [CIF]
data_SrCa3(CuO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.666
_cell_length_b   6.666
_cell_length_c   6.705
_cell_angle_alpha   75.439
_cell_angle_beta   75.439
_cell_angle_gamma   33.723
_symmetry_Int_Tables_number   1
_cell_volume   159.619
_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  0.149  0.149  0.176  1.0
  Ca  Ca1  1  0.149  0.149  0.676  1.0
  Ca  Ca2  1  0.852  0.852  0.822  1.0
  Ca  Ca3  1  0.852  0.852  0.327  1.0
  Cu  Cu4  1  0.501  0.501  0.996  1.0
  Cu  Cu5  1  0.499  0.499  0.504  1.0
  O  O6  1  0.339  0.339  0.580  1.0
  O  O7  1  0.345  0.345  0.078  1.0
  O  O8  1  0.661  0.661  0.430  1.0
  O  O9  1  0.660  0.660  0.910  1.0
  O  O10  1  0.997  0.997  0.508  1.0
  O  O11  1  0.997  0.997  0.995  1.0
[/CIF]
.
The material structure described by SrCa3(CuO3)2 crystallizes in the monoclinic Cm space group. Sr(1) is bonded to one O(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted SrO7 pentagonal bipyramids that share corners with four equivalent Ca(1)O7 pentagonal bipyramids, edges with two equivalent Sr(1)O7 pentagonal bipyramids, and faces with two equivalent Ca(1)O7 pentagonal bipyramids. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted CaO7 pentagonal bipyramids that share corners with four equivalent Sr(1)O7 pentagonal bipyramids, edges with two equivalent Ca(1)O7 pentagonal bipyramids, and faces with two equivalent Sr(1)O7 pentagonal bipyramids. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(2), one O(4), and two equivalent O(6) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(1), one O(3), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), two equivalent Ca(2), two equivalent Ca(3), and one Cu(2) atom to form OCa5Cu octahedra that share  a cornercorner with one O(3)Sr2Ca3Cu octahedra,  a cornercorner with one O(5)SrCa3Cu2 octahedra, corners with four equivalent O(2)SrCa4Cu octahedra, corners with five equivalent O(6)SrCa3Cu2 octahedra, edges with two equivalent O(1)Ca5Cu octahedra, edges with two equivalent O(3)Sr2Ca3Cu octahedra, edges with two equivalent O(4)Sr2Ca3Cu octahedra, edges with two equivalent O(2)SrCa4Cu octahedra, and faces with two equivalent O(5)SrCa3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to one Sr(1), two equivalent Ca(2), two equivalent Ca(3), and one Cu(1) atom to form OSrCa4Cu octahedra that share  a cornercorner with one O(4)Sr2Ca3Cu octahedra,  a cornercorner with one O(6)SrCa3Cu2 octahedra, corners with four equivalent O(1)Ca5Cu octahedra, corners with five equivalent O(5)SrCa3Cu2 octahedra, edges with two equivalent O(1)Ca5Cu octahedra, edges with two equivalent O(3)Sr2Ca3Cu octahedra, edges with two equivalent O(4)Sr2Ca3Cu octahedra, edges with two equivalent O(2)SrCa4Cu octahedra, and faces with two equivalent O(6)SrCa3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the third O site, O(3) is bonded to two equivalent Sr(1), one Ca(3), two equivalent Ca(1), and one Cu(2) atom to form OSr2Ca3Cu octahedra that share  a cornercorner with one O(1)Ca5Cu octahedra,  a cornercorner with one O(5)SrCa3Cu2 octahedra, corners with four equivalent O(4)Sr2Ca3Cu octahedra, corners with five equivalent O(6)SrCa3Cu2 octahedra, edges with two equivalent O(1)Ca5Cu octahedra, edges with two equivalent O(3)Sr2Ca3Cu octahedra, edges with two equivalent O(4)Sr2Ca3Cu octahedra, edges with two equivalent O(2)SrCa4Cu octahedra, and faces with two equivalent O(5)SrCa3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), one Ca(2), two equivalent Ca(1), and one Cu(1) atom to form OSr2Ca3Cu octahedra that share  a cornercorner with one O(6)SrCa3Cu2 octahedra,  a cornercorner with one O(2)SrCa4Cu octahedra, corners with four equivalent O(3)Sr2Ca3Cu octahedra, corners with five equivalent O(5)SrCa3Cu2 octahedra, edges with two equivalent O(1)Ca5Cu octahedra, edges with two equivalent O(3)Sr2Ca3Cu octahedra, edges with two equivalent O(4)Sr2Ca3Cu octahedra, edges with two equivalent O(2)SrCa4Cu octahedra, and faces with two equivalent O(6)SrCa3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fifth O site, O(5) is bonded to one Sr(1), one Ca(1), one Ca(2), one Ca(3), and two equivalent Cu(2) atoms to form OSrCa3Cu2 octahedra that share  a cornercorner with one O(1)Ca5Cu octahedra,  a cornercorner with one O(3)Sr2Ca3Cu octahedra, corners with two equivalent O(5)SrCa3Cu2 octahedra, corners with five equivalent O(4)Sr2Ca3Cu octahedra, corners with five equivalent O(2)SrCa4Cu octahedra, edges with two equivalent O(6)SrCa3Cu2 octahedra, faces with two equivalent O(1)Ca5Cu octahedra, and faces with two equivalent O(3)Sr2Ca3Cu octahedra. The corner-sharing octahedral tilt angles range from 2-62°. In the sixth O site, O(6) is bonded to one Sr(1), one Ca(1), one Ca(2), one Ca(3), and two equivalent Cu(1) atoms to form OSrCa3Cu2 octahedra that share  a cornercorner with one O(4)Sr2Ca3Cu octahedra,  a cornercorner with one O(2)SrCa4Cu octahedra, corners with two equivalent O(6)SrCa3Cu2 octahedra, corners with five equivalent O(1)Ca5Cu octahedra, corners with five equivalent O(3)Sr2Ca3Cu octahedra, edges with two equivalent O(5)SrCa3Cu2 octahedra, faces with two equivalent O(4)Sr2Ca3Cu octahedra, and faces with two equivalent O(2)SrCa4Cu octahedra. The corner-sharing octahedral tilt angles range from 3-62°. is represented by the CIF card [CIF]
data_SrCa3(CuO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.666
_cell_length_b   6.666
_cell_length_c   6.705
_cell_angle_alpha   75.439
_cell_angle_beta   75.439
_cell_angle_gamma   33.723
_symmetry_Int_Tables_number   1
_cell_volume   159.619
_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  0.149  0.149  0.176  1.0
  Ca  Ca1  1  0.149  0.149  0.676  1.0
  Ca  Ca2  1  0.852  0.852  0.822  1.0
  Ca  Ca3  1  0.852  0.852  0.327  1.0
  Cu  Cu4  1  0.501  0.501  0.996  1.0
  Cu  Cu5  1  0.499  0.499  0.504  1.0
  O  O6  1  0.339  0.339  0.580  1.0
  O  O7  1  0.345  0.345  0.078  1.0
  O  O8  1  0.661  0.661  0.430  1.0
  O  O9  1  0.660  0.660  0.910  1.0
  O  O10  1  0.997  0.997  0.508  1.0
  O  O11  1  0.997  0.997  0.995  1.0
[/CIF]
.