The material described by Rb4CuSi2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 2-coordinate geometry to one O(2) and one O(3) atom. In the second Rb site, Rb(2) is bonded in a 4-coordinate geometry to one O(3), one O(4), and two equivalent O(1) atoms. Cu(1) is bonded in a linear geometry to two equivalent O(2) atoms. Si(1) is bonded in a distorted bent 120 degrees geometry to one O(1), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Rb(2), one Si(1), and one O(4) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Rb(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted octahedral geometry to two equivalent Rb(2), two equivalent Si(1), and two equivalent O(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb4CuSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.386
_cell_length_b   7.182
_cell_length_c   7.256
_cell_angle_alpha   114.317
_cell_angle_beta   100.452
_cell_angle_gamma   107.806
_symmetry_Int_Tables_number   1
_cell_volume   270.049
_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
  Rb  Rb0  1  0.602  0.359  0.719  1.0
  Rb  Rb1  1  0.398  0.641  0.281  1.0
  Rb  Rb2  1  0.709  0.236  0.222  1.0
  Rb  Rb3  1  0.291  0.764  0.778  1.0
  Cu  Cu4  1  0.000  0.000  0.500  1.0
  Si  Si5  1  0.993  0.857  0.224  1.0
  Si  Si6  1  0.007  0.143  0.776  1.0
  O  O7  1  0.242  0.011  0.230  1.0
  O  O8  1  0.249  0.164  0.566  1.0
  O  O9  1  0.751  0.836  0.434  1.0
  O  O10  1  0.030  0.377  0.764  1.0
  O  O11  1  0.970  0.623  0.236  1.0
  O  O12  1  0.758  0.989  0.770  1.0
  O  O13  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Rb4CuSi2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 2-coordinate geometry to one O(2) and one O(3) atom. In the second Rb site, Rb(2) is bonded in a 4-coordinate geometry to one O(3), one O(4), and two equivalent O(1) atoms. Cu(1) is bonded in a linear geometry to two equivalent O(2) atoms. Si(1) is bonded in a distorted bent 120 degrees geometry to one O(1), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Rb(2), one Si(1), and one O(4) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Rb(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted octahedral geometry to two equivalent Rb(2), two equivalent Si(1), and two equivalent O(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb4CuSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.386
_cell_length_b   7.182
_cell_length_c   7.256
_cell_angle_alpha   114.317
_cell_angle_beta   100.452
_cell_angle_gamma   107.806
_symmetry_Int_Tables_number   1
_cell_volume   270.049
_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
  Rb  Rb0  1  0.602  0.359  0.719  1.0
  Rb  Rb1  1  0.398  0.641  0.281  1.0
  Rb  Rb2  1  0.709  0.236  0.222  1.0
  Rb  Rb3  1  0.291  0.764  0.778  1.0
  Cu  Cu4  1  0.000  0.000  0.500  1.0
  Si  Si5  1  0.993  0.857  0.224  1.0
  Si  Si6  1  0.007  0.143  0.776  1.0
  O  O7  1  0.242  0.011  0.230  1.0
  O  O8  1  0.249  0.164  0.566  1.0
  O  O9  1  0.751  0.836  0.434  1.0
  O  O10  1  0.030  0.377  0.764  1.0
  O  O11  1  0.970  0.623  0.236  1.0
  O  O12  1  0.758  0.989  0.770  1.0
  O  O13  1  0.000  0.000  0.000  1.0
[/CIF]
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