The structure described by CaZr4(PbO4)3 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(18), one O(2), one O(22), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(16), one O(23), one O(3), and one O(7) atom. There are eight inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(13), one O(14), one O(15), one O(22), one O(23), and one O(24) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 22-32°. In the second Zr site, Zr(2) is bonded to one O(16), one O(17), one O(18), one O(19), one O(20), and one O(21) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 21-32°. In the third Zr site, Zr(3) is bonded to one O(1), one O(11), one O(18), one O(21), one O(6), and one O(9) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 21-30°. In the fourth Zr site, Zr(4) is bonded to one O(12), one O(16), one O(19), one O(2), one O(4), and one O(7) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 21-32°. In the fifth Zr site, Zr(5) is bonded to one O(10), one O(17), one O(20), one O(3), one O(5), and one O(8) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 22-30°. In the sixth Zr site, Zr(6) is bonded to one O(11), one O(14), one O(2), one O(23), one O(4), and one O(9) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 23-30°. In the seventh Zr site, Zr(7) is bonded to one O(12), one O(15), one O(24), one O(3), one O(5), and one O(7) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 22-30°. In the eighth Zr site, Zr(8) is bonded to one O(1), one O(10), one O(13), one O(22), one O(6), and one O(8) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 21-32°. There are six inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(17), one O(24), and one O(8) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(19), one O(6), and one O(8) atom. In the third Pb site, Pb(3) is bonded in a 6-coordinate geometry to one O(12), one O(15), one O(16), one O(20), one O(4), and one O(9) atom. In the fourth Pb site, Pb(4) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(17), one O(21), one O(5), and one O(7) atom. In the fifth Pb site, Pb(5) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(22), one O(23), one O(24), and one O(3) atom. In the sixth Pb site, Pb(6) is bonded in a 6-coordinate geometry to one O(19), one O(20), one O(21), one O(4), one O(5), and one O(6) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Zr(3), one Zr(8), one Pb(1), and one Pb(5) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ca(1), one Zr(4), one Zr(6), and one Pb(5) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ca(2), one Zr(5), one Zr(7), and one Pb(5) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Zr(4), one Zr(6), one Pb(3), and one Pb(6) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Zr(5), one Zr(7), one Pb(4), and one Pb(6) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Zr(3), one Zr(8), one Pb(2), and one Pb(6) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ca(2), one Zr(4), one Zr(7), and one Pb(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Zr(5), one Zr(8), one Pb(1), and one Pb(2) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Ca(1), one Zr(3), one Zr(6), and one Pb(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ca(2), one Zr(5), one Zr(8), and one Pb(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Zr(3), one Zr(6), one Pb(1), and one Pb(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ca(1), one Zr(4), one Zr(7), and one Pb(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(8), one Pb(1), and one Pb(4) atom. In the fourteenth O site, O(14) is bonded in a distorted see-saw-like geometry to one Ca(1), one Zr(1), one Zr(6), and one Pb(2) atom. In the fifteenth O site, O(15) is bonded in a distorted see-saw-like geometry to one Ca(2), one Zr(1), one Zr(7), and one Pb(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Ca(2), one Zr(2), one Zr(4), and one Pb(3) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(5), one Pb(1), and one Pb(4) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Ca(1), one Zr(2), one Zr(3), and one Pb(2) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(4), one Pb(2), and one Pb(6) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(5), one Pb(3), and one Pb(6) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(3), one Pb(4), and one Pb(6) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Ca(1), one Zr(1), one Zr(8), and one Pb(5) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Ca(2), one Zr(1), one Zr(6), and one Pb(5) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(7), one Pb(1), and one Pb(5) atom. is represented by the CIF card [CIF]
data_CaZr4(PbO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.878
_cell_length_b   5.955
_cell_length_c   8.352
_cell_angle_alpha   91.068
_cell_angle_beta   90.038
_cell_angle_gamma   90.167
_symmetry_Int_Tables_number   1
_cell_volume   292.308
_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
  Ca  Ca0  1  0.495  0.446  0.528  1.0
  O  O1  1  0.789  0.808  0.264  1.0
  O  O2  1  0.769  0.243  0.696  1.0
  O  O3  1  0.434  0.039  0.493  1.0
  O  O4  1  0.207  0.807  0.764  1.0
  O  O5  1  0.560  0.041  0.992  1.0
  O  O6  1  0.226  0.248  0.202  1.0
  O  O7  1  0.292  0.305  0.761  1.0
  O  O8  1  0.267  0.753  0.202  1.0
  O  O9  1  0.699  0.321  0.282  1.0
  O  O10  1  0.715  0.728  0.686  1.0
  O  O11  1  0.940  0.531  0.991  1.0
  O  O12  1  0.092  0.535  0.491  1.0
  Pb  Pb13  1  0.011  0.963  0.018  1.0
  Pb  Pb14  1  0.495  0.464  0.016  1.0
  Pb  Pb15  1  0.005  0.966  0.516  1.0
  Zr  Zr16  1  0.000  0.498  0.746  1.0
  Zr  Zr17  1  0.997  0.503  0.253  1.0
  Zr  Zr18  1  0.502  0.007  0.251  1.0
  Zr  Zr19  1  0.504  0.996  0.747  1.0
[/CIF]
.
The structure described by CaZr4(PbO4)3 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(18), one O(2), one O(22), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(16), one O(23), one O(3), and one O(7) atom. There are eight inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(13), one O(14), one O(15), one O(22), one O(23), and one O(24) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 22-32°. In the second Zr site, Zr(2) is bonded to one O(16), one O(17), one O(18), one O(19), one O(20), and one O(21) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 21-32°. In the third Zr site, Zr(3) is bonded to one O(1), one O(11), one O(18), one O(21), one O(6), and one O(9) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 21-30°. In the fourth Zr site, Zr(4) is bonded to one O(12), one O(16), one O(19), one O(2), one O(4), and one O(7) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 21-32°. In the fifth Zr site, Zr(5) is bonded to one O(10), one O(17), one O(20), one O(3), one O(5), and one O(8) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 22-30°. In the sixth Zr site, Zr(6) is bonded to one O(11), one O(14), one O(2), one O(23), one O(4), and one O(9) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 23-30°. In the seventh Zr site, Zr(7) is bonded to one O(12), one O(15), one O(24), one O(3), one O(5), and one O(7) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 22-30°. In the eighth Zr site, Zr(8) is bonded to one O(1), one O(10), one O(13), one O(22), one O(6), and one O(8) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 21-32°. There are six inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(17), one O(24), and one O(8) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(19), one O(6), and one O(8) atom. In the third Pb site, Pb(3) is bonded in a 6-coordinate geometry to one O(12), one O(15), one O(16), one O(20), one O(4), and one O(9) atom. In the fourth Pb site, Pb(4) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(17), one O(21), one O(5), and one O(7) atom. In the fifth Pb site, Pb(5) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(22), one O(23), one O(24), and one O(3) atom. In the sixth Pb site, Pb(6) is bonded in a 6-coordinate geometry to one O(19), one O(20), one O(21), one O(4), one O(5), and one O(6) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Zr(3), one Zr(8), one Pb(1), and one Pb(5) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ca(1), one Zr(4), one Zr(6), and one Pb(5) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ca(2), one Zr(5), one Zr(7), and one Pb(5) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Zr(4), one Zr(6), one Pb(3), and one Pb(6) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Zr(5), one Zr(7), one Pb(4), and one Pb(6) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Zr(3), one Zr(8), one Pb(2), and one Pb(6) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ca(2), one Zr(4), one Zr(7), and one Pb(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Zr(5), one Zr(8), one Pb(1), and one Pb(2) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Ca(1), one Zr(3), one Zr(6), and one Pb(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ca(2), one Zr(5), one Zr(8), and one Pb(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Zr(3), one Zr(6), one Pb(1), and one Pb(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ca(1), one Zr(4), one Zr(7), and one Pb(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(8), one Pb(1), and one Pb(4) atom. In the fourteenth O site, O(14) is bonded in a distorted see-saw-like geometry to one Ca(1), one Zr(1), one Zr(6), and one Pb(2) atom. In the fifteenth O site, O(15) is bonded in a distorted see-saw-like geometry to one Ca(2), one Zr(1), one Zr(7), and one Pb(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Ca(2), one Zr(2), one Zr(4), and one Pb(3) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(5), one Pb(1), and one Pb(4) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Ca(1), one Zr(2), one Zr(3), and one Pb(2) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(4), one Pb(2), and one Pb(6) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(5), one Pb(3), and one Pb(6) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(3), one Pb(4), and one Pb(6) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Ca(1), one Zr(1), one Zr(8), and one Pb(5) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Ca(2), one Zr(1), one Zr(6), and one Pb(5) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(7), one Pb(1), and one Pb(5) atom. is represented by the CIF card [CIF]
data_CaZr4(PbO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.878
_cell_length_b   5.955
_cell_length_c   8.352
_cell_angle_alpha   91.068
_cell_angle_beta   90.038
_cell_angle_gamma   90.167
_symmetry_Int_Tables_number   1
_cell_volume   292.308
_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
  Ca  Ca0  1  0.495  0.446  0.528  1.0
  O  O1  1  0.789  0.808  0.264  1.0
  O  O2  1  0.769  0.243  0.696  1.0
  O  O3  1  0.434  0.039  0.493  1.0
  O  O4  1  0.207  0.807  0.764  1.0
  O  O5  1  0.560  0.041  0.992  1.0
  O  O6  1  0.226  0.248  0.202  1.0
  O  O7  1  0.292  0.305  0.761  1.0
  O  O8  1  0.267  0.753  0.202  1.0
  O  O9  1  0.699  0.321  0.282  1.0
  O  O10  1  0.715  0.728  0.686  1.0
  O  O11  1  0.940  0.531  0.991  1.0
  O  O12  1  0.092  0.535  0.491  1.0
  Pb  Pb13  1  0.011  0.963  0.018  1.0
  Pb  Pb14  1  0.495  0.464  0.016  1.0
  Pb  Pb15  1  0.005  0.966  0.516  1.0
  Zr  Zr16  1  0.000  0.498  0.746  1.0
  Zr  Zr17  1  0.997  0.503  0.253  1.0
  Zr  Zr18  1  0.502  0.007  0.251  1.0
  Zr  Zr19  1  0.504  0.996  0.747  1.0
[/CIF]
.