The material structure described by KCa2Ta3O10 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(5) and four equivalent O(6) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent O(10), two equivalent O(2), two equivalent O(3), two equivalent O(9), and four equivalent O(8) atoms to form distorted CaO12 cuboctahedra that share corners with four equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Ca(1)O12 cuboctahedra, and faces with four equivalent Ta(3)O6 octahedra. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(10), two equivalent O(4), two equivalent O(9), and four equivalent O(7) atoms. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 6-coordinate geometry to one O(5), one O(7), two equivalent O(1), and two equivalent O(4) atoms. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to one O(6), one O(8), two equivalent O(2), and two equivalent O(3) atoms. In the third Ta site, Ta(3) is bonded to one O(7), one O(8), two equivalent O(10), and two equivalent O(9) atoms to form TaO6 octahedra that share corners with four equivalent Ta(3)O6 octahedra and faces with four equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Ca(2) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded to two equivalent Ca(1) and two equivalent Ta(2) atoms to form a mixture of distorted corner and edge-sharing OCa2Ta2 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Ca(1) and two equivalent Ta(2) atoms to form a mixture of distorted corner and edge-sharing OCa2Ta2 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to two equivalent Ca(2) and two equivalent Ta(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Ta(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Ta(2) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to four equivalent Ca(2), one Ta(1), and one Ta(3) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to four equivalent Ca(1), one Ta(2), and one Ta(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Ta(3) atoms. In the tenth O site, O(10) is bonded in a linear geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Ta(3) atoms. is represented by the CIF card [CIF]
data_KCa2Ta3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.941
_cell_length_b   3.946
_cell_length_c   15.257
_cell_angle_alpha   82.571
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   235.241
_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
  K  K0  1  0.000  0.758  0.483  1.0
  Ca  Ca1  1  0.000  0.925  0.151  1.0
  Ca  Ca2  1  0.000  0.077  0.847  1.0
  Ta  Ta3  1  0.500  0.642  0.717  1.0
  Ta  Ta4  1  0.500  0.358  0.283  1.0
  Ta  Ta5  1  0.500  0.500  1.000  1.0
  O  O6  1  0.000  0.628  0.745  1.0
  O  O7  1  0.000  0.372  0.256  1.0
  O  O8  1  0.500  0.872  0.256  1.0
  O  O9  1  0.500  0.127  0.746  1.0
  O  O10  1  0.500  0.701  0.599  1.0
  O  O11  1  0.500  0.299  0.402  1.0
  O  O12  1  0.500  0.565  0.870  1.0
  O  O13  1  0.500  0.435  0.131  1.0
  O  O14  1  0.000  0.500  0.001  1.0
  O  O15  1  0.500  0.999  0.001  1.0
[/CIF]
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The material structure described by KCa2Ta3O10 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(5) and four equivalent O(6) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent O(10), two equivalent O(2), two equivalent O(3), two equivalent O(9), and four equivalent O(8) atoms to form distorted CaO12 cuboctahedra that share corners with four equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Ca(1)O12 cuboctahedra, and faces with four equivalent Ta(3)O6 octahedra. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(10), two equivalent O(4), two equivalent O(9), and four equivalent O(7) atoms. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 6-coordinate geometry to one O(5), one O(7), two equivalent O(1), and two equivalent O(4) atoms. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to one O(6), one O(8), two equivalent O(2), and two equivalent O(3) atoms. In the third Ta site, Ta(3) is bonded to one O(7), one O(8), two equivalent O(10), and two equivalent O(9) atoms to form TaO6 octahedra that share corners with four equivalent Ta(3)O6 octahedra and faces with four equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Ca(2) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded to two equivalent Ca(1) and two equivalent Ta(2) atoms to form a mixture of distorted corner and edge-sharing OCa2Ta2 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Ca(1) and two equivalent Ta(2) atoms to form a mixture of distorted corner and edge-sharing OCa2Ta2 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to two equivalent Ca(2) and two equivalent Ta(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Ta(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Ta(2) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to four equivalent Ca(2), one Ta(1), and one Ta(3) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to four equivalent Ca(1), one Ta(2), and one Ta(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Ta(3) atoms. In the tenth O site, O(10) is bonded in a linear geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Ta(3) atoms. is represented by the CIF card [CIF]
data_KCa2Ta3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.941
_cell_length_b   3.946
_cell_length_c   15.257
_cell_angle_alpha   82.571
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   235.241
_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
  K  K0  1  0.000  0.758  0.483  1.0
  Ca  Ca1  1  0.000  0.925  0.151  1.0
  Ca  Ca2  1  0.000  0.077  0.847  1.0
  Ta  Ta3  1  0.500  0.642  0.717  1.0
  Ta  Ta4  1  0.500  0.358  0.283  1.0
  Ta  Ta5  1  0.500  0.500  1.000  1.0
  O  O6  1  0.000  0.628  0.745  1.0
  O  O7  1  0.000  0.372  0.256  1.0
  O  O8  1  0.500  0.872  0.256  1.0
  O  O9  1  0.500  0.127  0.746  1.0
  O  O10  1  0.500  0.701  0.599  1.0
  O  O11  1  0.500  0.299  0.402  1.0
  O  O12  1  0.500  0.565  0.870  1.0
  O  O13  1  0.500  0.435  0.131  1.0
  O  O14  1  0.000  0.500  0.001  1.0
  O  O15  1  0.500  0.999  0.001  1.0
[/CIF]
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