The structure described by Ca5(Au3Si2)2 crystallizes in the monoclinic Cm space group. There are ten inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to one Au(1), one Au(7), two equivalent Au(2), two equivalent Au(6), three equivalent Au(12), and three equivalent Si(5) atoms. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to one Au(5), two equivalent Au(4), three equivalent Au(10), one Si(7), two equivalent Si(8), and three equivalent Si(3) atoms. In the third Ca site, Ca(3) is bonded in a 12-coordinate geometry to one Au(6), two equivalent Au(1), two equivalent Au(5), three equivalent Au(11), one Si(8), and three equivalent Si(4) atoms. In the fourth Ca site, Ca(4) is bonded in a 12-coordinate geometry to one Au(2), one Au(3), two equivalent Au(7), three equivalent Au(8), two equivalent Si(6), and three equivalent Si(1) atoms. In the fifth Ca site, Ca(5) is bonded in a 12-coordinate geometry to one Au(4), two equivalent Au(3), three equivalent Au(9), one Si(6), two equivalent Si(7), and three equivalent Si(2) atoms. In the sixth Ca site, Ca(6) is bonded in a 12-coordinate geometry to one Au(8), two equivalent Au(12), three equivalent Au(2), three equivalent Au(7), one Si(5), and two equivalent Si(1) atoms. In the seventh Ca site, Ca(7) is bonded in a 12-coordinate geometry to one Au(11), two equivalent Au(10), three equivalent Au(5), one Si(3), two equivalent Si(4), and three equivalent Si(8) atoms. In the eighth Ca site, Ca(8) is bonded in a 11-coordinate geometry to one Au(12), two equivalent Au(11), two equivalent Au(6), three equivalent Au(1), one Si(4), and two equivalent Si(5) atoms. In the ninth Ca site, Ca(9) is bonded in a 12-coordinate geometry to one Au(9), two equivalent Au(8), three equivalent Au(3), one Si(1), two equivalent Si(2), and three equivalent Si(6) atoms. In the tenth Ca site, Ca(10) is bonded in a 12-coordinate geometry to one Au(10), two equivalent Au(9), three equivalent Au(4), one Si(2), two equivalent Si(3), and three equivalent Si(7) atoms. There are twelve inequivalent Au sites. In the first Au site, Au(1) is bonded in a 10-coordinate geometry to one Ca(1), two equivalent Ca(3), three equivalent Ca(8), one Au(11), two equivalent Au(6), and one Si(5) atom. In the second Au site, Au(2) is bonded in a 10-coordinate geometry to one Ca(4), two equivalent Ca(1), three equivalent Ca(6), one Au(12), two equivalent Au(7), and one Si(1) atom. In the third Au site, Au(3) is bonded in a 10-coordinate geometry to one Ca(4), two equivalent Ca(5), three equivalent Ca(9), one Au(9), one Si(2), and two equivalent Si(6) atoms. In the fourth Au site, Au(4) is bonded in a 10-coordinate geometry to one Ca(5), two equivalent Ca(2), three equivalent Ca(10), one Au(10), one Si(3), and two equivalent Si(7) atoms. In the fifth Au site, Au(5) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(3), three equivalent Ca(7), one Au(11), one Si(4), and two equivalent Si(8) atoms. In the sixth Au site, Au(6) is bonded in a 6-coordinate geometry to one Ca(3), two equivalent Ca(1), two equivalent Ca(8), one Au(12), two equivalent Au(1), and one Si(5) atom. In the seventh Au site, Au(7) is bonded in a 6-coordinate geometry to one Ca(1), two equivalent Ca(4), three equivalent Ca(6), one Au(8), two equivalent Au(2), and one Si(1) atom. In the eighth Au site, Au(8) is bonded in a 10-coordinate geometry to one Ca(6), two equivalent Ca(9), three equivalent Ca(4), one Au(7), one Si(6), and two equivalent Si(1) atoms. In the ninth Au site, Au(9) is bonded in a 10-coordinate geometry to one Ca(9), two equivalent Ca(10), three equivalent Ca(5), one Au(3), one Si(7), and two equivalent Si(2) atoms. In the tenth Au site, Au(10) is bonded in a 10-coordinate geometry to one Ca(10), two equivalent Ca(7), three equivalent Ca(2), one Au(4), one Si(8), and two equivalent Si(3) atoms. In the eleventh Au site, Au(11) is bonded in a 10-coordinate geometry to one Ca(7), two equivalent Ca(8), three equivalent Ca(3), one Au(1), one Au(5), and two equivalent Si(4) atoms. In the twelfth Au site, Au(12) is bonded in a 10-coordinate geometry to one Ca(8), two equivalent Ca(6), three equivalent Ca(1), one Au(2), one Au(6), and two equivalent Si(5) atoms. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one Ca(9), two equivalent Ca(6), three equivalent Ca(4), one Au(2), one Au(7), and two equivalent Au(8) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Ca(10), two equivalent Ca(9), three equivalent Ca(5), one Au(3), two equivalent Au(9), and one Si(6) atom. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Ca(7), two equivalent Ca(10), three equivalent Ca(2), one Au(4), two equivalent Au(10), and one Si(7) atom. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to one Ca(8), two equivalent Ca(7), three equivalent Ca(3), one Au(5), two equivalent Au(11), and one Si(8) atom. In the fifth Si site, Si(5) is bonded in a 4-coordinate geometry to one Ca(6), two equivalent Ca(8), three equivalent Ca(1), one Au(1), one Au(6), and two equivalent Au(12) atoms. In the sixth Si site, Si(6) is bonded in a 10-coordinate geometry to one Ca(5), two equivalent Ca(4), three equivalent Ca(9), one Au(8), two equivalent Au(3), and one Si(2) atom. In the seventh Si site, Si(7) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(5), three equivalent Ca(10), one Au(9), two equivalent Au(4), and one Si(3) atom. In the eighth Si site, Si(8) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(2), three equivalent Ca(7), one Au(10), two equivalent Au(5), and one Si(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca5(Si2Au3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.717
_cell_length_b   5.717
_cell_length_c   26.522
_cell_angle_alpha   83.208
_cell_angle_beta   83.208
_cell_angle_gamma   45.893
_symmetry_Int_Tables_number   1
_cell_volume   617.342
_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
  Ca  Ca0  1  0.028  0.028  0.153  1.0
  Ca  Ca1  1  0.822  0.822  0.560  1.0
  Ca  Ca2  1  0.420  0.420  0.358  1.0
  Ca  Ca3  1  0.626  0.626  0.956  1.0
  Ca  Ca4  1  0.222  0.222  0.758  1.0
  Ca  Ca5  1  0.777  0.777  0.075  1.0
  Ca  Ca6  1  0.571  0.571  0.478  1.0
  Ca  Ca7  1  0.172  0.172  0.279  1.0
  Ca  Ca8  1  0.375  0.375  0.872  1.0
  Ca  Ca9  1  0.977  0.977  0.674  1.0
  Si  Si10  1  0.335  0.335  0.989  1.0
  Si  Si11  1  0.928  0.928  0.795  1.0
  Si  Si12  1  0.529  0.529  0.598  1.0
  Si  Si13  1  0.125  0.125  0.402  1.0
  Si  Si14  1  0.739  0.739  0.195  1.0
  Si  Si15  1  0.072  0.072  0.866  1.0
  Si  Si16  1  0.673  0.673  0.669  1.0
  Si  Si17  1  0.271  0.271  0.471  1.0
  Au  Au18  1  0.869  0.869  0.273  1.0
  Au  Au19  1  0.470  0.470  0.067  1.0
  Au  Au20  1  0.689  0.689  0.841  1.0
  Au  Au21  1  0.291  0.291  0.644  1.0
  Au  Au22  1  0.888  0.888  0.446  1.0
  Au  Au23  1  0.514  0.514  0.236  1.0
  Au  Au24  1  0.114  0.114  0.035  1.0
  Au  Au25  1  0.918  0.918  0.952  1.0
  Au  Au26  1  0.512  0.512  0.754  1.0
  Au  Au27  1  0.112  0.112  0.557  1.0
  Au  Au28  1  0.701  0.701  0.365  1.0
  Au  Au29  1  0.310  0.310  0.163  1.0
[/CIF]
.
The structure described by Ca5(Au3Si2)2 crystallizes in the monoclinic Cm space group. There are ten inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to one Au(1), one Au(7), two equivalent Au(2), two equivalent Au(6), three equivalent Au(12), and three equivalent Si(5) atoms. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to one Au(5), two equivalent Au(4), three equivalent Au(10), one Si(7), two equivalent Si(8), and three equivalent Si(3) atoms. In the third Ca site, Ca(3) is bonded in a 12-coordinate geometry to one Au(6), two equivalent Au(1), two equivalent Au(5), three equivalent Au(11), one Si(8), and three equivalent Si(4) atoms. In the fourth Ca site, Ca(4) is bonded in a 12-coordinate geometry to one Au(2), one Au(3), two equivalent Au(7), three equivalent Au(8), two equivalent Si(6), and three equivalent Si(1) atoms. In the fifth Ca site, Ca(5) is bonded in a 12-coordinate geometry to one Au(4), two equivalent Au(3), three equivalent Au(9), one Si(6), two equivalent Si(7), and three equivalent Si(2) atoms. In the sixth Ca site, Ca(6) is bonded in a 12-coordinate geometry to one Au(8), two equivalent Au(12), three equivalent Au(2), three equivalent Au(7), one Si(5), and two equivalent Si(1) atoms. In the seventh Ca site, Ca(7) is bonded in a 12-coordinate geometry to one Au(11), two equivalent Au(10), three equivalent Au(5), one Si(3), two equivalent Si(4), and three equivalent Si(8) atoms. In the eighth Ca site, Ca(8) is bonded in a 11-coordinate geometry to one Au(12), two equivalent Au(11), two equivalent Au(6), three equivalent Au(1), one Si(4), and two equivalent Si(5) atoms. In the ninth Ca site, Ca(9) is bonded in a 12-coordinate geometry to one Au(9), two equivalent Au(8), three equivalent Au(3), one Si(1), two equivalent Si(2), and three equivalent Si(6) atoms. In the tenth Ca site, Ca(10) is bonded in a 12-coordinate geometry to one Au(10), two equivalent Au(9), three equivalent Au(4), one Si(2), two equivalent Si(3), and three equivalent Si(7) atoms. There are twelve inequivalent Au sites. In the first Au site, Au(1) is bonded in a 10-coordinate geometry to one Ca(1), two equivalent Ca(3), three equivalent Ca(8), one Au(11), two equivalent Au(6), and one Si(5) atom. In the second Au site, Au(2) is bonded in a 10-coordinate geometry to one Ca(4), two equivalent Ca(1), three equivalent Ca(6), one Au(12), two equivalent Au(7), and one Si(1) atom. In the third Au site, Au(3) is bonded in a 10-coordinate geometry to one Ca(4), two equivalent Ca(5), three equivalent Ca(9), one Au(9), one Si(2), and two equivalent Si(6) atoms. In the fourth Au site, Au(4) is bonded in a 10-coordinate geometry to one Ca(5), two equivalent Ca(2), three equivalent Ca(10), one Au(10), one Si(3), and two equivalent Si(7) atoms. In the fifth Au site, Au(5) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(3), three equivalent Ca(7), one Au(11), one Si(4), and two equivalent Si(8) atoms. In the sixth Au site, Au(6) is bonded in a 6-coordinate geometry to one Ca(3), two equivalent Ca(1), two equivalent Ca(8), one Au(12), two equivalent Au(1), and one Si(5) atom. In the seventh Au site, Au(7) is bonded in a 6-coordinate geometry to one Ca(1), two equivalent Ca(4), three equivalent Ca(6), one Au(8), two equivalent Au(2), and one Si(1) atom. In the eighth Au site, Au(8) is bonded in a 10-coordinate geometry to one Ca(6), two equivalent Ca(9), three equivalent Ca(4), one Au(7), one Si(6), and two equivalent Si(1) atoms. In the ninth Au site, Au(9) is bonded in a 10-coordinate geometry to one Ca(9), two equivalent Ca(10), three equivalent Ca(5), one Au(3), one Si(7), and two equivalent Si(2) atoms. In the tenth Au site, Au(10) is bonded in a 10-coordinate geometry to one Ca(10), two equivalent Ca(7), three equivalent Ca(2), one Au(4), one Si(8), and two equivalent Si(3) atoms. In the eleventh Au site, Au(11) is bonded in a 10-coordinate geometry to one Ca(7), two equivalent Ca(8), three equivalent Ca(3), one Au(1), one Au(5), and two equivalent Si(4) atoms. In the twelfth Au site, Au(12) is bonded in a 10-coordinate geometry to one Ca(8), two equivalent Ca(6), three equivalent Ca(1), one Au(2), one Au(6), and two equivalent Si(5) atoms. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one Ca(9), two equivalent Ca(6), three equivalent Ca(4), one Au(2), one Au(7), and two equivalent Au(8) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Ca(10), two equivalent Ca(9), three equivalent Ca(5), one Au(3), two equivalent Au(9), and one Si(6) atom. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Ca(7), two equivalent Ca(10), three equivalent Ca(2), one Au(4), two equivalent Au(10), and one Si(7) atom. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to one Ca(8), two equivalent Ca(7), three equivalent Ca(3), one Au(5), two equivalent Au(11), and one Si(8) atom. In the fifth Si site, Si(5) is bonded in a 4-coordinate geometry to one Ca(6), two equivalent Ca(8), three equivalent Ca(1), one Au(1), one Au(6), and two equivalent Au(12) atoms. In the sixth Si site, Si(6) is bonded in a 10-coordinate geometry to one Ca(5), two equivalent Ca(4), three equivalent Ca(9), one Au(8), two equivalent Au(3), and one Si(2) atom. In the seventh Si site, Si(7) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(5), three equivalent Ca(10), one Au(9), two equivalent Au(4), and one Si(3) atom. In the eighth Si site, Si(8) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(2), three equivalent Ca(7), one Au(10), two equivalent Au(5), and one Si(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca5(Si2Au3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.717
_cell_length_b   5.717
_cell_length_c   26.522
_cell_angle_alpha   83.208
_cell_angle_beta   83.208
_cell_angle_gamma   45.893
_symmetry_Int_Tables_number   1
_cell_volume   617.342
_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
  Ca  Ca0  1  0.028  0.028  0.153  1.0
  Ca  Ca1  1  0.822  0.822  0.560  1.0
  Ca  Ca2  1  0.420  0.420  0.358  1.0
  Ca  Ca3  1  0.626  0.626  0.956  1.0
  Ca  Ca4  1  0.222  0.222  0.758  1.0
  Ca  Ca5  1  0.777  0.777  0.075  1.0
  Ca  Ca6  1  0.571  0.571  0.478  1.0
  Ca  Ca7  1  0.172  0.172  0.279  1.0
  Ca  Ca8  1  0.375  0.375  0.872  1.0
  Ca  Ca9  1  0.977  0.977  0.674  1.0
  Si  Si10  1  0.335  0.335  0.989  1.0
  Si  Si11  1  0.928  0.928  0.795  1.0
  Si  Si12  1  0.529  0.529  0.598  1.0
  Si  Si13  1  0.125  0.125  0.402  1.0
  Si  Si14  1  0.739  0.739  0.195  1.0
  Si  Si15  1  0.072  0.072  0.866  1.0
  Si  Si16  1  0.673  0.673  0.669  1.0
  Si  Si17  1  0.271  0.271  0.471  1.0
  Au  Au18  1  0.869  0.869  0.273  1.0
  Au  Au19  1  0.470  0.470  0.067  1.0
  Au  Au20  1  0.689  0.689  0.841  1.0
  Au  Au21  1  0.291  0.291  0.644  1.0
  Au  Au22  1  0.888  0.888  0.446  1.0
  Au  Au23  1  0.514  0.514  0.236  1.0
  Au  Au24  1  0.114  0.114  0.035  1.0
  Au  Au25  1  0.918  0.918  0.952  1.0
  Au  Au26  1  0.512  0.512  0.754  1.0
  Au  Au27  1  0.112  0.112  0.557  1.0
  Au  Au28  1  0.701  0.701  0.365  1.0
  Au  Au29  1  0.310  0.310  0.163  1.0
[/CIF]
.