The structure described by BeCrO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to one O(1), one O(2), and two equivalent O(5) atoms to form BeO4 tetrahedra that share corners with two equivalent Be(2)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, and corners with two equivalent Cr(2)O4 tetrahedra. In the second Be site, Be(2) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form BeO4 tetrahedra that share corners with two equivalent Be(1)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, and corners with two equivalent Cr(2)O4 tetrahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form CrO4 tetrahedra that share corners with two equivalent Be(1)O4 tetrahedra and corners with two equivalent Be(2)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form CrO4 tetrahedra that share corners with two equivalent Be(1)O4 tetrahedra and corners with two equivalent Be(2)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Be(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Be(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cr(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Be(2) and one Cr(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Be(1), one Be(2), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BeCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.165
_cell_length_b   7.165
_cell_length_c   5.721
_cell_angle_alpha   77.741
_cell_angle_beta   77.741
_cell_angle_gamma   81.418
_symmetry_Int_Tables_number   1
_cell_volume   278.766
_cell_formula_units_Z   4
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
  Be  Be0  1  0.887  0.887  0.793  1.0
  Be  Be1  1  0.751  0.249  0.500  1.0
  Be  Be2  1  0.249  0.751  0.500  1.0
  Be  Be3  1  0.113  0.113  0.207  1.0
  Cr  Cr4  1  0.720  0.720  0.387  1.0
  Cr  Cr5  1  0.762  0.238  0.000  1.0
  Cr  Cr6  1  0.238  0.762  0.000  1.0
  Cr  Cr7  1  0.280  0.280  0.613  1.0
  O  O8  1  0.809  0.809  0.583  1.0
  O  O9  1  0.815  0.815  0.096  1.0
  O  O10  1  0.782  0.461  0.906  1.0
  O  O11  1  0.461  0.782  0.906  1.0
  O  O12  1  0.483  0.771  0.436  1.0
  O  O13  1  0.771  0.483  0.436  1.0
  O  O14  1  0.125  0.831  0.742  1.0
  O  O15  1  0.831  0.125  0.742  1.0
  O  O16  1  0.875  0.169  0.258  1.0
  O  O17  1  0.169  0.875  0.258  1.0
  O  O18  1  0.517  0.229  0.564  1.0
  O  O19  1  0.229  0.517  0.564  1.0
  O  O20  1  0.539  0.218  0.094  1.0
  O  O21  1  0.218  0.539  0.094  1.0
  O  O22  1  0.185  0.185  0.904  1.0
  O  O23  1  0.191  0.191  0.417  1.0
[/CIF]
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The structure described by BeCrO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to one O(1), one O(2), and two equivalent O(5) atoms to form BeO4 tetrahedra that share corners with two equivalent Be(2)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, and corners with two equivalent Cr(2)O4 tetrahedra. In the second Be site, Be(2) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form BeO4 tetrahedra that share corners with two equivalent Be(1)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, and corners with two equivalent Cr(2)O4 tetrahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form CrO4 tetrahedra that share corners with two equivalent Be(1)O4 tetrahedra and corners with two equivalent Be(2)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form CrO4 tetrahedra that share corners with two equivalent Be(1)O4 tetrahedra and corners with two equivalent Be(2)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Be(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Be(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cr(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Be(2) and one Cr(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Be(1), one Be(2), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BeCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.165
_cell_length_b   7.165
_cell_length_c   5.721
_cell_angle_alpha   77.741
_cell_angle_beta   77.741
_cell_angle_gamma   81.418
_symmetry_Int_Tables_number   1
_cell_volume   278.766
_cell_formula_units_Z   4
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
  Be  Be0  1  0.887  0.887  0.793  1.0
  Be  Be1  1  0.751  0.249  0.500  1.0
  Be  Be2  1  0.249  0.751  0.500  1.0
  Be  Be3  1  0.113  0.113  0.207  1.0
  Cr  Cr4  1  0.720  0.720  0.387  1.0
  Cr  Cr5  1  0.762  0.238  0.000  1.0
  Cr  Cr6  1  0.238  0.762  0.000  1.0
  Cr  Cr7  1  0.280  0.280  0.613  1.0
  O  O8  1  0.809  0.809  0.583  1.0
  O  O9  1  0.815  0.815  0.096  1.0
  O  O10  1  0.782  0.461  0.906  1.0
  O  O11  1  0.461  0.782  0.906  1.0
  O  O12  1  0.483  0.771  0.436  1.0
  O  O13  1  0.771  0.483  0.436  1.0
  O  O14  1  0.125  0.831  0.742  1.0
  O  O15  1  0.831  0.125  0.742  1.0
  O  O16  1  0.875  0.169  0.258  1.0
  O  O17  1  0.169  0.875  0.258  1.0
  O  O18  1  0.517  0.229  0.564  1.0
  O  O19  1  0.229  0.517  0.564  1.0
  O  O20  1  0.539  0.218  0.094  1.0
  O  O21  1  0.218  0.539  0.094  1.0
  O  O22  1  0.185  0.185  0.904  1.0
  O  O23  1  0.191  0.191  0.417  1.0
[/CIF]
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