The compound described by CrSiO5 crystallizes in the triclinic P1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted CrO5 trigonal bipyramids that share corners with two equivalent Si(1)O4 tetrahedra and corners with two equivalent Si(2)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(3), one O(6), and one O(8) atom to form distorted CrO5 trigonal bipyramids that share corners with two equivalent Si(1)O4 tetrahedra and corners with two equivalent Si(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Cr(1)O5 trigonal bipyramids and corners with two equivalent Cr(2)O5 trigonal bipyramids. In the second Si site, Si(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share corners with two equivalent Cr(1)O5 trigonal bipyramids and corners with two equivalent Cr(2)O5 trigonal bipyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cr(2) and one Si(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Si(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one Si(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cr(1) and one Si(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one Si(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one Si(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cr(1) and one Si(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Cr(2) and one Si(1) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Cr(1) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.163
_cell_length_b   8.359
_cell_length_c   7.648
_cell_angle_alpha   90.155
_cell_angle_beta   42.185
_cell_angle_gamma   69.675
_symmetry_Int_Tables_number   1
_cell_volume   189.290
_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
  Cr  Cr0  1  0.500  0.528  0.022  1.0
  Cr  Cr1  1  0.501  0.028  0.969  1.0
  Si  Si2  1  0.491  0.238  0.319  1.0
  Si  Si3  1  0.487  0.738  0.684  1.0
  O  O4  1  0.340  0.118  0.271  1.0
  O  O5  1  0.654  0.355  0.118  1.0
  O  O6  1  0.648  0.856  0.721  1.0
  O  O7  1  0.336  0.618  0.883  1.0
  O  O8  1  0.919  0.591  0.346  1.0
  O  O9  1  0.075  0.877  0.762  1.0
  O  O10  1  0.074  0.380  0.654  1.0
  O  O11  1  0.917  0.093  0.229  1.0
  O  O12  1  0.520  0.692  0.105  1.0
  O  O13  1  0.526  0.191  0.863  1.0
[/CIF]
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The compound described by CrSiO5 crystallizes in the triclinic P1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted CrO5 trigonal bipyramids that share corners with two equivalent Si(1)O4 tetrahedra and corners with two equivalent Si(2)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(3), one O(6), and one O(8) atom to form distorted CrO5 trigonal bipyramids that share corners with two equivalent Si(1)O4 tetrahedra and corners with two equivalent Si(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Cr(1)O5 trigonal bipyramids and corners with two equivalent Cr(2)O5 trigonal bipyramids. In the second Si site, Si(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share corners with two equivalent Cr(1)O5 trigonal bipyramids and corners with two equivalent Cr(2)O5 trigonal bipyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cr(2) and one Si(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Si(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one Si(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cr(1) and one Si(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one Si(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one Si(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cr(1) and one Si(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Cr(2) and one Si(1) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Cr(1) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.163
_cell_length_b   8.359
_cell_length_c   7.648
_cell_angle_alpha   90.155
_cell_angle_beta   42.185
_cell_angle_gamma   69.675
_symmetry_Int_Tables_number   1
_cell_volume   189.290
_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
  Cr  Cr0  1  0.500  0.528  0.022  1.0
  Cr  Cr1  1  0.501  0.028  0.969  1.0
  Si  Si2  1  0.491  0.238  0.319  1.0
  Si  Si3  1  0.487  0.738  0.684  1.0
  O  O4  1  0.340  0.118  0.271  1.0
  O  O5  1  0.654  0.355  0.118  1.0
  O  O6  1  0.648  0.856  0.721  1.0
  O  O7  1  0.336  0.618  0.883  1.0
  O  O8  1  0.919  0.591  0.346  1.0
  O  O9  1  0.075  0.877  0.762  1.0
  O  O10  1  0.074  0.380  0.654  1.0
  O  O11  1  0.917  0.093  0.229  1.0
  O  O12  1  0.520  0.692  0.105  1.0
  O  O13  1  0.526  0.191  0.863  1.0
[/CIF]
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