The material structure described by Sr4CaTb2(RuO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(5), one O(6), one O(7), and one O(9) atom. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(5), and one O(9) atom. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom. In the fourth Sr site, Sr(4) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. Ca(1) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(4), one O(6), one O(8), and one O(9) atom. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form TbO6 octahedra that share corners with two equivalent Ru(2)O6 octahedra and corners with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-31°. In the second Tb site, Tb(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form distorted TbO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra and corners with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-36°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form RuO6 octahedra that share corners with two equivalent Tb(2)O6 octahedra and corners with four equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-29°. In the second Ru site, Ru(2) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form RuO6 octahedra that share corners with two equivalent Tb(1)O6 octahedra and corners with four equivalent Tb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-36°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Sr(3), one Tb(1), and one Ru(1) atom to form distorted OSr3TbRu trigonal bipyramids that share  a cornercorner with one O(8)Sr2CaTbRu square pyramid and edges with two equivalent O(7)Sr3TbRu square pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(2), one Ca(1), one Tb(2), and one Ru(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one Tb(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(3), one Sr(4), one Ca(1), one Tb(2), and one Ru(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Tb(1), and one Ru(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Tb(2), and one Ru(2) atom. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(3), one Sr(4), one Tb(1), and one Ru(1) atom to form distorted OSr3TbRu square pyramids that share corners with two equivalent O(8)Sr2CaTbRu square pyramids and edges with two equivalent O(1)Sr3TbRu trigonal bipyramids. In the eighth O site, O(8) is bonded to one Sr(3), one Sr(4), one Ca(1), one Tb(2), and one Ru(2) atom to form distorted corner-sharing OSr2CaTbRu square pyramids. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ca(1), one Tb(1), and one Ru(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ca(1), one Tb(2), and one Ru(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Tb(1), and one Ru(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Tb(2), and one Ru(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4CaTb2(RuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.823
_cell_length_b   6.133
_cell_length_c   8.576
_cell_angle_alpha   94.031
_cell_angle_beta   90.744
_cell_angle_gamma   89.801
_symmetry_Int_Tables_number   1
_cell_volume   305.525
_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  0.985  0.344  0.829  1.0
  Sr  Sr1  1  0.511  0.920  0.770  1.0
  Sr  Sr2  1  0.483  0.034  0.234  1.0
  Sr  Sr3  1  0.013  0.556  0.229  1.0
  Ca  Ca4  1  0.060  0.628  0.609  1.0
  Tb  Tb5  1  0.497  0.481  0.001  1.0
  Tb  Tb6  1  0.001  0.061  0.473  1.0
  Ru  Ru7  1  0.997  0.963  0.001  1.0
  Ru  Ru8  1  0.515  0.535  0.485  1.0
  O  O9  1  0.710  0.162  0.972  1.0
  O  O10  1  0.728  0.790  0.520  1.0
  O  O11  1  0.270  0.774  0.035  1.0
  O  O12  1  0.272  0.307  0.442  1.0
  O  O13  1  0.806  0.689  0.954  1.0
  O  O14  1  0.786  0.342  0.549  1.0
  O  O15  1  0.206  0.241  0.046  1.0
  O  O16  1  0.265  0.776  0.432  1.0
  O  O17  1  0.400  0.528  0.730  1.0
  O  O18  1  0.072  0.969  0.753  1.0
  O  O19  1  0.588  0.496  0.255  1.0
  O  O20  1  0.920  0.978  0.226  1.0
[/CIF]
.
The material structure described by Sr4CaTb2(RuO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(5), one O(6), one O(7), and one O(9) atom. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(5), and one O(9) atom. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom. In the fourth Sr site, Sr(4) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. Ca(1) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(4), one O(6), one O(8), and one O(9) atom. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form TbO6 octahedra that share corners with two equivalent Ru(2)O6 octahedra and corners with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-31°. In the second Tb site, Tb(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form distorted TbO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra and corners with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-36°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form RuO6 octahedra that share corners with two equivalent Tb(2)O6 octahedra and corners with four equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-29°. In the second Ru site, Ru(2) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form RuO6 octahedra that share corners with two equivalent Tb(1)O6 octahedra and corners with four equivalent Tb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-36°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Sr(3), one Tb(1), and one Ru(1) atom to form distorted OSr3TbRu trigonal bipyramids that share  a cornercorner with one O(8)Sr2CaTbRu square pyramid and edges with two equivalent O(7)Sr3TbRu square pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(2), one Ca(1), one Tb(2), and one Ru(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one Tb(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(3), one Sr(4), one Ca(1), one Tb(2), and one Ru(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Tb(1), and one Ru(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Tb(2), and one Ru(2) atom. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(3), one Sr(4), one Tb(1), and one Ru(1) atom to form distorted OSr3TbRu square pyramids that share corners with two equivalent O(8)Sr2CaTbRu square pyramids and edges with two equivalent O(1)Sr3TbRu trigonal bipyramids. In the eighth O site, O(8) is bonded to one Sr(3), one Sr(4), one Ca(1), one Tb(2), and one Ru(2) atom to form distorted corner-sharing OSr2CaTbRu square pyramids. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ca(1), one Tb(1), and one Ru(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ca(1), one Tb(2), and one Ru(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Tb(1), and one Ru(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Tb(2), and one Ru(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4CaTb2(RuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.823
_cell_length_b   6.133
_cell_length_c   8.576
_cell_angle_alpha   94.031
_cell_angle_beta   90.744
_cell_angle_gamma   89.801
_symmetry_Int_Tables_number   1
_cell_volume   305.525
_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  0.985  0.344  0.829  1.0
  Sr  Sr1  1  0.511  0.920  0.770  1.0
  Sr  Sr2  1  0.483  0.034  0.234  1.0
  Sr  Sr3  1  0.013  0.556  0.229  1.0
  Ca  Ca4  1  0.060  0.628  0.609  1.0
  Tb  Tb5  1  0.497  0.481  0.001  1.0
  Tb  Tb6  1  0.001  0.061  0.473  1.0
  Ru  Ru7  1  0.997  0.963  0.001  1.0
  Ru  Ru8  1  0.515  0.535  0.485  1.0
  O  O9  1  0.710  0.162  0.972  1.0
  O  O10  1  0.728  0.790  0.520  1.0
  O  O11  1  0.270  0.774  0.035  1.0
  O  O12  1  0.272  0.307  0.442  1.0
  O  O13  1  0.806  0.689  0.954  1.0
  O  O14  1  0.786  0.342  0.549  1.0
  O  O15  1  0.206  0.241  0.046  1.0
  O  O16  1  0.265  0.776  0.432  1.0
  O  O17  1  0.400  0.528  0.730  1.0
  O  O18  1  0.072  0.969  0.753  1.0
  O  O19  1  0.588  0.496  0.255  1.0
  O  O20  1  0.920  0.978  0.226  1.0
[/CIF]
.