The crystal structure described by CsMgMnP3HO10 crystallizes in the triclinic P1 space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent H(1), one O(1), one O(10), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. Mg(1) is bonded in a 4-coordinate geometry to one O(10), one O(3), one O(4), and one O(7) atom. Mn(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. In the second P site, P(2) is bonded to one O(10), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-46°. In the third P site, P(3) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-47°. H(1) is bonded in a 3-coordinate geometry to two equivalent Cs(1) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cs(1), one Mg(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cs(1), one Mg(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cs(1), one Mn(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cs(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cs(1), one Mg(1), one Mn(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Cs(1), one Mg(1), one Mn(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsMgMnP3HO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.902
_cell_length_b   6.940
_cell_length_c   6.715
_cell_angle_alpha   70.672
_cell_angle_beta   70.467
_cell_angle_gamma   84.568
_symmetry_Int_Tables_number   1
_cell_volume   286.046
_cell_formula_units_Z   1
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
  Cs  Cs0  1  0.994  0.997  0.505  1.0
  Mg  Mg1  1  0.324  0.670  0.005  1.0
  Mn  Mn2  1  0.688  0.309  1.000  1.0
  P  P3  1  0.599  0.403  0.499  1.0
  P  P4  1  0.209  0.420  0.856  1.0
  P  P5  1  0.578  0.789  0.146  1.0
  H  H6  1  0.078  0.944  0.993  1.0
  O  O7  1  0.720  0.356  0.658  1.0
  O  O8  1  0.644  0.283  0.340  1.0
  O  O9  1  0.186  0.655  0.796  1.0
  O  O10  1  0.340  0.804  0.217  1.0
  O  O11  1  0.697  0.984  0.074  1.0
  O  O12  1  0.016  0.297  0.926  1.0
  O  O13  1  0.631  0.673  0.972  1.0
  O  O14  1  0.356  0.371  0.631  1.0
  O  O15  1  0.636  0.644  0.366  1.0
  O  O16  1  0.329  0.365  0.028  1.0
[/CIF]
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The crystal structure described by CsMgMnP3HO10 crystallizes in the triclinic P1 space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent H(1), one O(1), one O(10), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. Mg(1) is bonded in a 4-coordinate geometry to one O(10), one O(3), one O(4), and one O(7) atom. Mn(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. In the second P site, P(2) is bonded to one O(10), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-46°. In the third P site, P(3) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-47°. H(1) is bonded in a 3-coordinate geometry to two equivalent Cs(1) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cs(1), one Mg(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cs(1), one Mg(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cs(1), one Mn(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cs(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cs(1), one Mg(1), one Mn(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Cs(1), one Mg(1), one Mn(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsMgMnP3HO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.902
_cell_length_b   6.940
_cell_length_c   6.715
_cell_angle_alpha   70.672
_cell_angle_beta   70.467
_cell_angle_gamma   84.568
_symmetry_Int_Tables_number   1
_cell_volume   286.046
_cell_formula_units_Z   1
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
  Cs  Cs0  1  0.994  0.997  0.505  1.0
  Mg  Mg1  1  0.324  0.670  0.005  1.0
  Mn  Mn2  1  0.688  0.309  1.000  1.0
  P  P3  1  0.599  0.403  0.499  1.0
  P  P4  1  0.209  0.420  0.856  1.0
  P  P5  1  0.578  0.789  0.146  1.0
  H  H6  1  0.078  0.944  0.993  1.0
  O  O7  1  0.720  0.356  0.658  1.0
  O  O8  1  0.644  0.283  0.340  1.0
  O  O9  1  0.186  0.655  0.796  1.0
  O  O10  1  0.340  0.804  0.217  1.0
  O  O11  1  0.697  0.984  0.074  1.0
  O  O12  1  0.016  0.297  0.926  1.0
  O  O13  1  0.631  0.673  0.972  1.0
  O  O14  1  0.356  0.371  0.631  1.0
  O  O15  1  0.636  0.644  0.366  1.0
  O  O16  1  0.329  0.365  0.028  1.0
[/CIF]
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