The material described by Li2CBiPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Bi(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent Li(1), one C(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1), one C(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Bi(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2BiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.893
_cell_length_b   5.076
_cell_length_c   9.171
_cell_angle_alpha   89.666
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.883
_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
  Li  Li0  1  0.951  0.783  0.783  1.0
  Li  Li1  1  0.549  0.783  0.783  1.0
  Li  Li2  1  0.451  0.217  0.217  1.0
  Li  Li3  1  0.049  0.217  0.217  1.0
  Bi  Bi4  1  0.250  0.237  0.634  1.0
  Bi  Bi5  1  0.750  0.763  0.366  1.0
  P  P6  1  0.750  0.263  0.605  1.0
  P  P7  1  0.250  0.737  0.395  1.0
  C  C8  1  0.250  0.259  0.932  1.0
  C  C9  1  0.750  0.741  0.068  1.0
  O  O10  1  0.750  0.736  0.931  1.0
  O  O11  1  0.250  0.035  0.859  1.0
  O  O12  1  0.250  0.475  0.851  1.0
  O  O13  1  0.929  0.118  0.670  1.0
  O  O14  1  0.571  0.118  0.670  1.0
  O  O15  1  0.250  0.768  0.566  1.0
  O  O16  1  0.750  0.559  0.640  1.0
  O  O17  1  0.250  0.441  0.360  1.0
  O  O18  1  0.750  0.232  0.434  1.0
  O  O19  1  0.429  0.882  0.330  1.0
  O  O20  1  0.071  0.882  0.330  1.0
  O  O21  1  0.750  0.525  0.149  1.0
  O  O22  1  0.750  0.965  0.141  1.0
  O  O23  1  0.250  0.264  0.069  1.0
[/CIF]
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The material described by Li2CBiPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Bi(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent Li(1), one C(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1), one C(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Bi(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2BiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.893
_cell_length_b   5.076
_cell_length_c   9.171
_cell_angle_alpha   89.666
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.883
_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
  Li  Li0  1  0.951  0.783  0.783  1.0
  Li  Li1  1  0.549  0.783  0.783  1.0
  Li  Li2  1  0.451  0.217  0.217  1.0
  Li  Li3  1  0.049  0.217  0.217  1.0
  Bi  Bi4  1  0.250  0.237  0.634  1.0
  Bi  Bi5  1  0.750  0.763  0.366  1.0
  P  P6  1  0.750  0.263  0.605  1.0
  P  P7  1  0.250  0.737  0.395  1.0
  C  C8  1  0.250  0.259  0.932  1.0
  C  C9  1  0.750  0.741  0.068  1.0
  O  O10  1  0.750  0.736  0.931  1.0
  O  O11  1  0.250  0.035  0.859  1.0
  O  O12  1  0.250  0.475  0.851  1.0
  O  O13  1  0.929  0.118  0.670  1.0
  O  O14  1  0.571  0.118  0.670  1.0
  O  O15  1  0.250  0.768  0.566  1.0
  O  O16  1  0.750  0.559  0.640  1.0
  O  O17  1  0.250  0.441  0.360  1.0
  O  O18  1  0.750  0.232  0.434  1.0
  O  O19  1  0.429  0.882  0.330  1.0
  O  O20  1  0.071  0.882  0.330  1.0
  O  O21  1  0.750  0.525  0.149  1.0
  O  O22  1  0.750  0.965  0.141  1.0
  O  O23  1  0.250  0.264  0.069  1.0
[/CIF]
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