The compound described by CaMn2(P2O7)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(12), one O(13), one O(14), one O(2), one O(3), one O(5), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(14), one O(4), one O(6), and one O(8) atom to form distorted MnO5 square pyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(2), one O(3), one O(5), and one O(7) atom to form distorted MnO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O5 square pyramid, corners with two equivalent Mn(1)O5 square pyramids, and  a cornercorner with one P(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(10), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid, corners with two equivalent Mn(2)O5 square pyramids, and  a cornercorner with one P(4)O4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(13), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O5 square pyramids and  a cornercorner with one P(1)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O5 square pyramids and  a cornercorner with one P(2)O4 tetrahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Mn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ca(1) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Ca(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Ca(1), one Mn(1), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMn2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.271
_cell_length_b   6.288
_cell_length_c   7.532
_cell_angle_alpha   88.760
_cell_angle_beta   65.434
_cell_angle_gamma   83.039
_symmetry_Int_Tables_number   1
_cell_volume   267.983
_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
  Ca  Ca0  1  0.074  0.665  0.572  1.0
  Mn  Mn1  1  0.340  0.150  0.746  1.0
  Mn  Mn2  1  0.666  0.846  0.259  1.0
  O  O3  1  0.204  0.087  0.043  1.0
  O  O4  1  0.811  0.906  0.953  1.0
  O  O5  1  0.963  0.820  0.292  1.0
  O  O6  1  0.035  0.190  0.731  1.0
  O  O7  1  0.339  0.875  0.287  1.0
  O  O8  1  0.661  0.110  0.723  1.0
  O  O9  1  0.694  0.535  0.258  1.0
  O  O10  1  0.313  0.465  0.735  1.0
  O  O11  1  0.638  0.302  0.019  1.0
  O  O12  1  0.337  0.688  0.996  1.0
  O  O13  1  0.623  0.149  0.339  1.0
  O  O14  1  0.708  0.588  0.690  1.0
  O  O15  1  0.288  0.419  0.337  1.0
  O  O16  1  0.367  0.841  0.667  1.0
  P  P17  1  0.790  0.119  0.858  1.0
  P  P18  1  0.206  0.884  0.152  1.0
  P  P19  1  0.550  0.356  0.250  1.0
  P  P20  1  0.448  0.643  0.764  1.0
[/CIF]
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The compound described by CaMn2(P2O7)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(12), one O(13), one O(14), one O(2), one O(3), one O(5), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(14), one O(4), one O(6), and one O(8) atom to form distorted MnO5 square pyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(2), one O(3), one O(5), and one O(7) atom to form distorted MnO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O5 square pyramid, corners with two equivalent Mn(1)O5 square pyramids, and  a cornercorner with one P(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(10), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid, corners with two equivalent Mn(2)O5 square pyramids, and  a cornercorner with one P(4)O4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(13), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O5 square pyramids and  a cornercorner with one P(1)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O5 square pyramids and  a cornercorner with one P(2)O4 tetrahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Mn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ca(1) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Ca(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Ca(1), one Mn(1), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMn2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.271
_cell_length_b   6.288
_cell_length_c   7.532
_cell_angle_alpha   88.760
_cell_angle_beta   65.434
_cell_angle_gamma   83.039
_symmetry_Int_Tables_number   1
_cell_volume   267.983
_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
  Ca  Ca0  1  0.074  0.665  0.572  1.0
  Mn  Mn1  1  0.340  0.150  0.746  1.0
  Mn  Mn2  1  0.666  0.846  0.259  1.0
  O  O3  1  0.204  0.087  0.043  1.0
  O  O4  1  0.811  0.906  0.953  1.0
  O  O5  1  0.963  0.820  0.292  1.0
  O  O6  1  0.035  0.190  0.731  1.0
  O  O7  1  0.339  0.875  0.287  1.0
  O  O8  1  0.661  0.110  0.723  1.0
  O  O9  1  0.694  0.535  0.258  1.0
  O  O10  1  0.313  0.465  0.735  1.0
  O  O11  1  0.638  0.302  0.019  1.0
  O  O12  1  0.337  0.688  0.996  1.0
  O  O13  1  0.623  0.149  0.339  1.0
  O  O14  1  0.708  0.588  0.690  1.0
  O  O15  1  0.288  0.419  0.337  1.0
  O  O16  1  0.367  0.841  0.667  1.0
  P  P17  1  0.790  0.119  0.858  1.0
  P  P18  1  0.206  0.884  0.152  1.0
  P  P19  1  0.550  0.356  0.250  1.0
  P  P20  1  0.448  0.643  0.764  1.0
[/CIF]
.