The crystal structure described by Sr2CaCu2(BiO5)2 crystallizes in the tetragonal P4mm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(7), four equivalent O(11), and four equivalent O(9) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(8), four equivalent O(10), and four equivalent O(12) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(14), four equivalent O(4), and four equivalent O(6) atoms. In the fourth Sr site, Sr(4) is bonded in a body-centered cubic geometry to four equivalent O(10) and four equivalent O(9) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to one O(13), four equivalent O(3), and four equivalent O(5) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(5) and four equivalent O(3) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(6) and four equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded to one O(11) and four equivalent O(9) atoms to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded to one O(12) and four equivalent O(10) atoms to form corner-sharing CuO5 square pyramids. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one O(5), four equivalent O(1), and four equivalent O(13) atoms. In the second Bi site, Bi(2) is bonded in a 9-coordinate geometry to one O(6), four equivalent O(14), and four equivalent O(2) atoms. In the third Bi site, Bi(3) is bonded in a 9-coordinate geometry to one O(11), four equivalent O(1), and four equivalent O(7) atoms. In the fourth Bi site, Bi(4) is bonded in a 9-coordinate geometry to one O(12), four equivalent O(2), and four equivalent O(8) atoms. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Bi(1) and two equivalent Bi(3) atoms to form OBi4 tetrahedra that share corners with two equivalent O(5)Ca4CuBi octahedra, corners with two equivalent O(11)Sr4CuBi octahedra, corners with four equivalent O(1)Bi4 tetrahedra, and edges with four equivalent O(1)Bi4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the second O site, O(2) is bonded to two equivalent Bi(2) and two equivalent Bi(4) atoms to form OBi4 tetrahedra that share corners with two equivalent O(12)Sr4CuBi octahedra, corners with two equivalent O(6)Sr4CuBi octahedra, corners with four equivalent O(2)Bi4 tetrahedra, and edges with four equivalent O(2)Bi4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the third O site, O(3) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Cu(1) atoms to form distorted OCa4Cu2 octahedra that share corners with two equivalent O(3)Ca4Cu2 octahedra, corners with four equivalent O(5)Ca4CuBi octahedra, corners with six equivalent O(4)Sr2Ca2Cu2 octahedra,  an edgeedge with one O(4)Sr2Ca2Cu2 octahedra, edges with two equivalent O(3)Ca4Cu2 octahedra, faces with two equivalent O(5)Ca4CuBi octahedra, and faces with four equivalent O(3)Ca4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the fourth O site, O(4) is bonded to two equivalent Sr(3), two equivalent Ca(1), and two equivalent Cu(2) atoms to form distorted OSr2Ca2Cu2 octahedra that share corners with two equivalent O(4)Sr2Ca2Cu2 octahedra, corners with four equivalent O(6)Sr4CuBi octahedra, corners with six equivalent O(3)Ca4Cu2 octahedra,  an edgeedge with one O(3)Ca4Cu2 octahedra, edges with two equivalent O(4)Sr2Ca2Cu2 octahedra, faces with two equivalent O(6)Sr4CuBi octahedra, and faces with four equivalent O(4)Sr2Ca2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the fifth O site, O(5) is bonded to four equivalent Ca(2), one Cu(1), and one Bi(1) atom to form distorted OCa4CuBi octahedra that share corners with four equivalent O(5)Ca4CuBi octahedra, corners with eight equivalent O(3)Ca4Cu2 octahedra, corners with four equivalent O(1)Bi4 tetrahedra, edges with four equivalent O(5)Ca4CuBi octahedra, and faces with four equivalent O(3)Ca4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 22-51°. In the sixth O site, O(6) is bonded to four equivalent Sr(3), one Cu(2), and one Bi(2) atom to form distorted OSr4CuBi octahedra that share corners with four equivalent O(6)Sr4CuBi octahedra, corners with eight equivalent O(4)Sr2Ca2Cu2 octahedra, corners with four equivalent O(2)Bi4 tetrahedra, edges with four equivalent O(6)Sr4CuBi octahedra, and faces with four equivalent O(4)Sr2Ca2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 23-51°. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Sr(1) and four equivalent Bi(3) atoms. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Sr(2) and four equivalent Bi(4) atoms. In the ninth O site, O(9) is bonded to two equivalent Sr(1), two equivalent Sr(4), and two equivalent Cu(3) atoms to form distorted OSr4Cu2 octahedra that share corners with two equivalent O(9)Sr4Cu2 octahedra, corners with four equivalent O(11)Sr4CuBi octahedra, corners with six equivalent O(10)Sr4Cu2 octahedra,  an edgeedge with one O(10)Sr4Cu2 octahedra, edges with two equivalent O(9)Sr4Cu2 octahedra, faces with two equivalent O(11)Sr4CuBi octahedra, and faces with four equivalent O(9)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the tenth O site, O(10) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Cu(4) atoms to form distorted OSr4Cu2 octahedra that share corners with two equivalent O(10)Sr4Cu2 octahedra, corners with four equivalent O(12)Sr4CuBi octahedra, corners with six equivalent O(9)Sr4Cu2 octahedra,  an edgeedge with one O(9)Sr4Cu2 octahedra, edges with two equivalent O(10)Sr4Cu2 octahedra, faces with two equivalent O(12)Sr4CuBi octahedra, and faces with four equivalent O(10)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the eleventh O site, O(11) is bonded to four equivalent Sr(1), one Cu(3), and one Bi(3) atom to form distorted OSr4CuBi octahedra that share corners with four equivalent O(11)Sr4CuBi octahedra, corners with eight equivalent O(9)Sr4Cu2 octahedra, corners with four equivalent O(1)Bi4 tetrahedra, edges with four equivalent O(11)Sr4CuBi octahedra, and faces with four equivalent O(9)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 23-51°. In the twelfth O site, O(12) is bonded to four equivalent Sr(2), one Cu(4), and one Bi(4) atom to form distorted OSr4CuBi octahedra that share corners with four equivalent O(12)Sr4CuBi octahedra, corners with eight equivalent O(10)Sr4Cu2 octahedra, corners with four equivalent O(2)Bi4 tetrahedra, edges with four equivalent O(12)Sr4CuBi octahedra, and faces with four equivalent O(10)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 24-51°. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Ca(2) and four equivalent Bi(1) atoms. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Sr(3) and four equivalent Bi(2) atoms. is represented by the CIF file [CIF]
data_Sr2CaCu2(BiO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.789
_cell_length_b   3.789
_cell_length_c   31.131
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   447.027
_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  0.000  0.000  0.882  1.0
  Sr  Sr1  1  0.000  0.000  0.117  1.0
  Sr  Sr2  1  0.500  0.500  0.388  1.0
  Sr  Sr3  1  0.000  0.000  1.000  1.0
  Ca  Ca4  1  0.500  0.500  0.501  1.0
  Ca  Ca5  1  0.500  0.500  0.612  1.0
  Cu  Cu6  1  0.000  0.000  0.562  1.0
  Cu  Cu7  1  0.000  0.000  0.442  1.0
  Cu  Cu8  1  0.500  0.500  0.935  1.0
  Cu  Cu9  1  0.500  0.500  0.064  1.0
  Bi  Bi10  1  0.000  0.000  0.702  1.0
  Bi  Bi11  1  0.000  0.000  0.296  1.0
  Bi  Bi12  1  0.500  0.500  0.790  1.0
  Bi  Bi13  1  0.500  0.500  0.209  1.0
  O  O14  1  0.000  0.500  0.746  1.0
  O  O15  1  0.000  0.500  0.253  1.0
  O  O16  1  0.500  0.000  0.746  1.0
  O  O17  1  0.500  0.000  0.253  1.0
  O  O18  1  0.500  0.000  0.553  1.0
  O  O19  1  0.500  0.000  0.451  1.0
  O  O20  1  0.000  0.500  0.553  1.0
  O  O21  1  0.000  0.500  0.451  1.0
  O  O22  1  0.000  0.000  0.629  1.0
  O  O23  1  0.000  0.000  0.370  1.0
  O  O24  1  0.000  0.000  0.806  1.0
  O  O25  1  0.000  0.000  0.193  1.0
  O  O26  1  0.000  0.500  0.944  1.0
  O  O27  1  0.000  0.500  0.056  1.0
  O  O28  1  0.500  0.000  0.944  1.0
  O  O29  1  0.500  0.000  0.056  1.0
  O  O30  1  0.500  0.500  0.865  1.0
  O  O31  1  0.500  0.500  0.135  1.0
  O  O32  1  0.500  0.500  0.683  1.0
  O  O33  1  0.500  0.500  0.312  1.0
[/CIF]
.
The crystal structure described by Sr2CaCu2(BiO5)2 crystallizes in the tetragonal P4mm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(7), four equivalent O(11), and four equivalent O(9) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(8), four equivalent O(10), and four equivalent O(12) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(14), four equivalent O(4), and four equivalent O(6) atoms. In the fourth Sr site, Sr(4) is bonded in a body-centered cubic geometry to four equivalent O(10) and four equivalent O(9) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to one O(13), four equivalent O(3), and four equivalent O(5) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(5) and four equivalent O(3) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(6) and four equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded to one O(11) and four equivalent O(9) atoms to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded to one O(12) and four equivalent O(10) atoms to form corner-sharing CuO5 square pyramids. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one O(5), four equivalent O(1), and four equivalent O(13) atoms. In the second Bi site, Bi(2) is bonded in a 9-coordinate geometry to one O(6), four equivalent O(14), and four equivalent O(2) atoms. In the third Bi site, Bi(3) is bonded in a 9-coordinate geometry to one O(11), four equivalent O(1), and four equivalent O(7) atoms. In the fourth Bi site, Bi(4) is bonded in a 9-coordinate geometry to one O(12), four equivalent O(2), and four equivalent O(8) atoms. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Bi(1) and two equivalent Bi(3) atoms to form OBi4 tetrahedra that share corners with two equivalent O(5)Ca4CuBi octahedra, corners with two equivalent O(11)Sr4CuBi octahedra, corners with four equivalent O(1)Bi4 tetrahedra, and edges with four equivalent O(1)Bi4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the second O site, O(2) is bonded to two equivalent Bi(2) and two equivalent Bi(4) atoms to form OBi4 tetrahedra that share corners with two equivalent O(12)Sr4CuBi octahedra, corners with two equivalent O(6)Sr4CuBi octahedra, corners with four equivalent O(2)Bi4 tetrahedra, and edges with four equivalent O(2)Bi4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the third O site, O(3) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Cu(1) atoms to form distorted OCa4Cu2 octahedra that share corners with two equivalent O(3)Ca4Cu2 octahedra, corners with four equivalent O(5)Ca4CuBi octahedra, corners with six equivalent O(4)Sr2Ca2Cu2 octahedra,  an edgeedge with one O(4)Sr2Ca2Cu2 octahedra, edges with two equivalent O(3)Ca4Cu2 octahedra, faces with two equivalent O(5)Ca4CuBi octahedra, and faces with four equivalent O(3)Ca4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the fourth O site, O(4) is bonded to two equivalent Sr(3), two equivalent Ca(1), and two equivalent Cu(2) atoms to form distorted OSr2Ca2Cu2 octahedra that share corners with two equivalent O(4)Sr2Ca2Cu2 octahedra, corners with four equivalent O(6)Sr4CuBi octahedra, corners with six equivalent O(3)Ca4Cu2 octahedra,  an edgeedge with one O(3)Ca4Cu2 octahedra, edges with two equivalent O(4)Sr2Ca2Cu2 octahedra, faces with two equivalent O(6)Sr4CuBi octahedra, and faces with four equivalent O(4)Sr2Ca2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the fifth O site, O(5) is bonded to four equivalent Ca(2), one Cu(1), and one Bi(1) atom to form distorted OCa4CuBi octahedra that share corners with four equivalent O(5)Ca4CuBi octahedra, corners with eight equivalent O(3)Ca4Cu2 octahedra, corners with four equivalent O(1)Bi4 tetrahedra, edges with four equivalent O(5)Ca4CuBi octahedra, and faces with four equivalent O(3)Ca4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 22-51°. In the sixth O site, O(6) is bonded to four equivalent Sr(3), one Cu(2), and one Bi(2) atom to form distorted OSr4CuBi octahedra that share corners with four equivalent O(6)Sr4CuBi octahedra, corners with eight equivalent O(4)Sr2Ca2Cu2 octahedra, corners with four equivalent O(2)Bi4 tetrahedra, edges with four equivalent O(6)Sr4CuBi octahedra, and faces with four equivalent O(4)Sr2Ca2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 23-51°. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Sr(1) and four equivalent Bi(3) atoms. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Sr(2) and four equivalent Bi(4) atoms. In the ninth O site, O(9) is bonded to two equivalent Sr(1), two equivalent Sr(4), and two equivalent Cu(3) atoms to form distorted OSr4Cu2 octahedra that share corners with two equivalent O(9)Sr4Cu2 octahedra, corners with four equivalent O(11)Sr4CuBi octahedra, corners with six equivalent O(10)Sr4Cu2 octahedra,  an edgeedge with one O(10)Sr4Cu2 octahedra, edges with two equivalent O(9)Sr4Cu2 octahedra, faces with two equivalent O(11)Sr4CuBi octahedra, and faces with four equivalent O(9)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the tenth O site, O(10) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Cu(4) atoms to form distorted OSr4Cu2 octahedra that share corners with two equivalent O(10)Sr4Cu2 octahedra, corners with four equivalent O(12)Sr4CuBi octahedra, corners with six equivalent O(9)Sr4Cu2 octahedra,  an edgeedge with one O(9)Sr4Cu2 octahedra, edges with two equivalent O(10)Sr4Cu2 octahedra, faces with two equivalent O(12)Sr4CuBi octahedra, and faces with four equivalent O(10)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the eleventh O site, O(11) is bonded to four equivalent Sr(1), one Cu(3), and one Bi(3) atom to form distorted OSr4CuBi octahedra that share corners with four equivalent O(11)Sr4CuBi octahedra, corners with eight equivalent O(9)Sr4Cu2 octahedra, corners with four equivalent O(1)Bi4 tetrahedra, edges with four equivalent O(11)Sr4CuBi octahedra, and faces with four equivalent O(9)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 23-51°. In the twelfth O site, O(12) is bonded to four equivalent Sr(2), one Cu(4), and one Bi(4) atom to form distorted OSr4CuBi octahedra that share corners with four equivalent O(12)Sr4CuBi octahedra, corners with eight equivalent O(10)Sr4Cu2 octahedra, corners with four equivalent O(2)Bi4 tetrahedra, edges with four equivalent O(12)Sr4CuBi octahedra, and faces with four equivalent O(10)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 24-51°. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Ca(2) and four equivalent Bi(1) atoms. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Sr(3) and four equivalent Bi(2) atoms. is represented by the CIF file [CIF]
data_Sr2CaCu2(BiO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.789
_cell_length_b   3.789
_cell_length_c   31.131
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   447.027
_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  0.000  0.000  0.882  1.0
  Sr  Sr1  1  0.000  0.000  0.117  1.0
  Sr  Sr2  1  0.500  0.500  0.388  1.0
  Sr  Sr3  1  0.000  0.000  1.000  1.0
  Ca  Ca4  1  0.500  0.500  0.501  1.0
  Ca  Ca5  1  0.500  0.500  0.612  1.0
  Cu  Cu6  1  0.000  0.000  0.562  1.0
  Cu  Cu7  1  0.000  0.000  0.442  1.0
  Cu  Cu8  1  0.500  0.500  0.935  1.0
  Cu  Cu9  1  0.500  0.500  0.064  1.0
  Bi  Bi10  1  0.000  0.000  0.702  1.0
  Bi  Bi11  1  0.000  0.000  0.296  1.0
  Bi  Bi12  1  0.500  0.500  0.790  1.0
  Bi  Bi13  1  0.500  0.500  0.209  1.0
  O  O14  1  0.000  0.500  0.746  1.0
  O  O15  1  0.000  0.500  0.253  1.0
  O  O16  1  0.500  0.000  0.746  1.0
  O  O17  1  0.500  0.000  0.253  1.0
  O  O18  1  0.500  0.000  0.553  1.0
  O  O19  1  0.500  0.000  0.451  1.0
  O  O20  1  0.000  0.500  0.553  1.0
  O  O21  1  0.000  0.500  0.451  1.0
  O  O22  1  0.000  0.000  0.629  1.0
  O  O23  1  0.000  0.000  0.370  1.0
  O  O24  1  0.000  0.000  0.806  1.0
  O  O25  1  0.000  0.000  0.193  1.0
  O  O26  1  0.000  0.500  0.944  1.0
  O  O27  1  0.000  0.500  0.056  1.0
  O  O28  1  0.500  0.000  0.944  1.0
  O  O29  1  0.500  0.000  0.056  1.0
  O  O30  1  0.500  0.500  0.865  1.0
  O  O31  1  0.500  0.500  0.135  1.0
  O  O32  1  0.500  0.500  0.683  1.0
  O  O33  1  0.500  0.500  0.312  1.0
[/CIF]
.