The material structure described by Sr5(VO4)3OH crystallizes in the hexagonal P6_3 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms. V(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. H(1) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 1-coordinate geometry to one Sr(1), two equivalent Sr(3), and one V(1) atom. In the second O site, O(5) is bonded in a single-bond geometry to three equivalent Sr(3) and one H(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), and one V(1) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), and one V(1) atom. In the fifth O site, O(3) is bonded in a 1-coordinate geometry to one Sr(2), two equivalent Sr(3), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5V3HO13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.492
_cell_length_b   10.231
_cell_length_c   10.231
_cell_angle_alpha   120.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   679.095
_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
  Sr  Sr0  1  0.001  0.333  0.667  1.0
  Sr  Sr1  1  0.501  0.667  0.333  1.0
  Sr  Sr2  1  0.999  0.667  0.333  1.0
  Sr  Sr3  1  0.499  0.333  0.667  1.0
  Sr  Sr4  1  0.249  0.748  0.994  1.0
  Sr  Sr5  1  0.249  0.006  0.753  1.0
  Sr  Sr6  1  0.249  0.247  0.252  1.0
  Sr  Sr7  1  0.749  0.252  0.006  1.0
  Sr  Sr8  1  0.749  0.994  0.247  1.0
  Sr  Sr9  1  0.749  0.753  0.748  1.0
  V  V10  1  0.249  0.969  0.368  1.0
  V  V11  1  0.249  0.632  0.602  1.0
  V  V12  1  0.249  0.398  0.031  1.0
  V  V13  1  0.749  0.031  0.632  1.0
  V  V14  1  0.749  0.368  0.398  1.0
  V  V15  1  0.749  0.602  0.969  1.0
  H  H16  1  0.573  0.000  0.000  1.0
  H  H17  1  0.073  0.000  1.000  1.0
  O  O18  1  0.250  0.872  0.468  1.0
  O  O19  1  0.250  0.532  0.404  1.0
  O  O20  1  0.250  0.596  0.128  1.0
  O  O21  1  0.750  0.128  0.532  1.0
  O  O22  1  0.750  0.468  0.596  1.0
  O  O23  1  0.750  0.404  0.872  1.0
  O  O24  1  0.250  0.166  0.485  1.0
  O  O25  1  0.250  0.515  0.681  1.0
  O  O26  1  0.250  0.319  0.834  1.0
  O  O27  1  0.750  0.834  0.515  1.0
  O  O28  1  0.750  0.485  0.319  1.0
  O  O29  1  0.750  0.681  0.166  1.0
  O  O30  1  0.065  0.908  0.250  1.0
  O  O31  1  0.065  0.750  0.658  1.0
  O  O32  1  0.065  0.342  0.092  1.0
  O  O33  1  0.565  0.092  0.750  1.0
  O  O34  1  0.565  0.250  0.342  1.0
  O  O35  1  0.565  0.658  0.908  1.0
  O  O36  1  0.933  0.091  0.752  1.0
  O  O37  1  0.933  0.248  0.340  1.0
  O  O38  1  0.933  0.660  0.909  1.0
  O  O39  1  0.433  0.909  0.248  1.0
  O  O40  1  0.433  0.752  0.660  1.0
  O  O41  1  0.433  0.340  0.091  1.0
  O  O42  1  0.203  0.000  1.000  1.0
  O  O43  1  0.703  1.000  0.000  1.0
[/CIF]
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The material structure described by Sr5(VO4)3OH crystallizes in the hexagonal P6_3 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms. V(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. H(1) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 1-coordinate geometry to one Sr(1), two equivalent Sr(3), and one V(1) atom. In the second O site, O(5) is bonded in a single-bond geometry to three equivalent Sr(3) and one H(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), and one V(1) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), and one V(1) atom. In the fifth O site, O(3) is bonded in a 1-coordinate geometry to one Sr(2), two equivalent Sr(3), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5V3HO13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.492
_cell_length_b   10.231
_cell_length_c   10.231
_cell_angle_alpha   120.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   679.095
_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
  Sr  Sr0  1  0.001  0.333  0.667  1.0
  Sr  Sr1  1  0.501  0.667  0.333  1.0
  Sr  Sr2  1  0.999  0.667  0.333  1.0
  Sr  Sr3  1  0.499  0.333  0.667  1.0
  Sr  Sr4  1  0.249  0.748  0.994  1.0
  Sr  Sr5  1  0.249  0.006  0.753  1.0
  Sr  Sr6  1  0.249  0.247  0.252  1.0
  Sr  Sr7  1  0.749  0.252  0.006  1.0
  Sr  Sr8  1  0.749  0.994  0.247  1.0
  Sr  Sr9  1  0.749  0.753  0.748  1.0
  V  V10  1  0.249  0.969  0.368  1.0
  V  V11  1  0.249  0.632  0.602  1.0
  V  V12  1  0.249  0.398  0.031  1.0
  V  V13  1  0.749  0.031  0.632  1.0
  V  V14  1  0.749  0.368  0.398  1.0
  V  V15  1  0.749  0.602  0.969  1.0
  H  H16  1  0.573  0.000  0.000  1.0
  H  H17  1  0.073  0.000  1.000  1.0
  O  O18  1  0.250  0.872  0.468  1.0
  O  O19  1  0.250  0.532  0.404  1.0
  O  O20  1  0.250  0.596  0.128  1.0
  O  O21  1  0.750  0.128  0.532  1.0
  O  O22  1  0.750  0.468  0.596  1.0
  O  O23  1  0.750  0.404  0.872  1.0
  O  O24  1  0.250  0.166  0.485  1.0
  O  O25  1  0.250  0.515  0.681  1.0
  O  O26  1  0.250  0.319  0.834  1.0
  O  O27  1  0.750  0.834  0.515  1.0
  O  O28  1  0.750  0.485  0.319  1.0
  O  O29  1  0.750  0.681  0.166  1.0
  O  O30  1  0.065  0.908  0.250  1.0
  O  O31  1  0.065  0.750  0.658  1.0
  O  O32  1  0.065  0.342  0.092  1.0
  O  O33  1  0.565  0.092  0.750  1.0
  O  O34  1  0.565  0.250  0.342  1.0
  O  O35  1  0.565  0.658  0.908  1.0
  O  O36  1  0.933  0.091  0.752  1.0
  O  O37  1  0.933  0.248  0.340  1.0
  O  O38  1  0.933  0.660  0.909  1.0
  O  O39  1  0.433  0.909  0.248  1.0
  O  O40  1  0.433  0.752  0.660  1.0
  O  O41  1  0.433  0.340  0.091  1.0
  O  O42  1  0.203  0.000  1.000  1.0
  O  O43  1  0.703  1.000  0.000  1.0
[/CIF]
.