The crystal structure described by ErMoO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(8), one Br(2), and two equivalent Br(1) atoms. In the second Er site, Er(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), one O(8), and one Br(2) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Er(2) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Er(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Er(1), one Er(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Er(1), one Er(2), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Er(2) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Er(1) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Er(2) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Er(1), one Er(2), and one Mo(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to two equivalent Er(1) atoms. In the second Br site, Br(2) is bonded in a distorted bent 120 degrees geometry to one Er(1) and one Er(2) atom. is represented by the CIF file [CIF]
data_ErMoBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.925
_cell_length_b   7.245
_cell_length_c   10.929
_cell_angle_alpha   104.366
_cell_angle_beta   107.566
_cell_angle_gamma   94.016
_symmetry_Int_Tables_number   1
_cell_volume   500.155
_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
  Er  Er0  1  0.652  0.115  0.731  1.0
  Er  Er1  1  0.348  0.885  0.269  1.0
  Er  Er2  1  0.386  0.659  0.768  1.0
  Er  Er3  1  0.614  0.341  0.232  1.0
  Mo  Mo4  1  0.731  0.813  0.134  1.0
  Mo  Mo5  1  0.269  0.187  0.866  1.0
  Mo  Mo6  1  0.773  0.591  0.628  1.0
  Mo  Mo7  1  0.227  0.409  0.372  1.0
  Br  Br8  1  0.261  0.997  0.519  1.0
  Br  Br9  1  0.739  0.003  0.481  1.0
  Br  Br10  1  0.191  0.717  0.982  1.0
  Br  Br11  1  0.809  0.283  0.018  1.0
  O  O12  1  0.664  0.729  0.957  1.0
  O  O13  1  0.336  0.271  0.043  1.0
  O  O14  1  0.002  0.873  0.207  1.0
  O  O15  1  0.998  0.127  0.793  1.0
  O  O16  1  0.630  0.640  0.201  1.0
  O  O17  1  0.370  0.360  0.799  1.0
  O  O18  1  0.399  0.983  0.817  1.0
  O  O19  1  0.601  0.017  0.183  1.0
  O  O20  1  0.043  0.654  0.672  1.0
  O  O21  1  0.957  0.346  0.328  1.0
  O  O22  1  0.722  0.407  0.700  1.0
  O  O23  1  0.278  0.593  0.300  1.0
  O  O24  1  0.670  0.505  0.449  1.0
  O  O25  1  0.330  0.495  0.551  1.0
  O  O26  1  0.654  0.792  0.703  1.0
  O  O27  1  0.346  0.208  0.297  1.0
[/CIF]
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The crystal structure described by ErMoO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(8), one Br(2), and two equivalent Br(1) atoms. In the second Er site, Er(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), one O(8), and one Br(2) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Er(2) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Er(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Er(1), one Er(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Er(1), one Er(2), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Er(2) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Er(1) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Er(2) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Er(1), one Er(2), and one Mo(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to two equivalent Er(1) atoms. In the second Br site, Br(2) is bonded in a distorted bent 120 degrees geometry to one Er(1) and one Er(2) atom. is represented by the CIF file [CIF]
data_ErMoBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.925
_cell_length_b   7.245
_cell_length_c   10.929
_cell_angle_alpha   104.366
_cell_angle_beta   107.566
_cell_angle_gamma   94.016
_symmetry_Int_Tables_number   1
_cell_volume   500.155
_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
  Er  Er0  1  0.652  0.115  0.731  1.0
  Er  Er1  1  0.348  0.885  0.269  1.0
  Er  Er2  1  0.386  0.659  0.768  1.0
  Er  Er3  1  0.614  0.341  0.232  1.0
  Mo  Mo4  1  0.731  0.813  0.134  1.0
  Mo  Mo5  1  0.269  0.187  0.866  1.0
  Mo  Mo6  1  0.773  0.591  0.628  1.0
  Mo  Mo7  1  0.227  0.409  0.372  1.0
  Br  Br8  1  0.261  0.997  0.519  1.0
  Br  Br9  1  0.739  0.003  0.481  1.0
  Br  Br10  1  0.191  0.717  0.982  1.0
  Br  Br11  1  0.809  0.283  0.018  1.0
  O  O12  1  0.664  0.729  0.957  1.0
  O  O13  1  0.336  0.271  0.043  1.0
  O  O14  1  0.002  0.873  0.207  1.0
  O  O15  1  0.998  0.127  0.793  1.0
  O  O16  1  0.630  0.640  0.201  1.0
  O  O17  1  0.370  0.360  0.799  1.0
  O  O18  1  0.399  0.983  0.817  1.0
  O  O19  1  0.601  0.017  0.183  1.0
  O  O20  1  0.043  0.654  0.672  1.0
  O  O21  1  0.957  0.346  0.328  1.0
  O  O22  1  0.722  0.407  0.700  1.0
  O  O23  1  0.278  0.593  0.300  1.0
  O  O24  1  0.670  0.505  0.449  1.0
  O  O25  1  0.330  0.495  0.551  1.0
  O  O26  1  0.654  0.792  0.703  1.0
  O  O27  1  0.346  0.208  0.297  1.0
[/CIF]
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