data_NaMnAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.85
_cell_length_b   6.35
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnAsO4
_chemical_formula_sum   'Na4 Mn4 As4 O16'
_cell_volume   356.23
_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
  Na  Na8  1  0.0  0.0  0.0  1.0
  Na  Na9  1  0.0  0.18  0.0  1.0
  Na  Na10  1  0.42  0.0  0.59  1.0
  Na  Na11  1  0.42  0.18  0.59  1.0
  Mn  Mn4  1  0.81  0.59  0.02  1.0
  Mn  Mn5  1  0.38  0.59  0.57  1.0
  Mn  Mn6  1  0.46  0.76  0.6  1.0
  Mn  Mn7  1  0.04  0.76  0.15  1.0
  As  As0  1  0.55  0.76  0.3  1.0
  As  As1  1  0.12  0.76  0.29  1.0
  As  As2  1  0.72  0.59  0.88  1.0
  As  As3  1  0.3  0.59  0.87  1.0
  O  O12  1  0.94  0.76  0.91  1.0
  O  O13  1  0.35  0.43  0.06  1.0
  O  O14  1  0.35  0.09  0.06  1.0
  O  O15  1  0.67  0.59  0.18  1.0
  O  O16  1  0.24  0.59  0.4  1.0
  O  O17  1  0.93  0.43  0.52  1.0
  O  O18  1  0.93  0.09  0.52  1.0
  O  O19  1  0.36  0.76  0.68  1.0
  O  O20  1  0.48  0.59  0.49  1.0
  O  O21  1  0.92  0.26  0.65  1.0
  O  O22  1  0.92  0.92  0.65  1.0
  O  O23  1  0.6  0.76  0.77  1.0
  O  O24  1  0.18  0.76  0.99  1.0
  O  O25  1  0.49  0.26  0.11  1.0
  O  O26  1  0.49  0.92  0.11  1.0
  O  O27  1  0.91  0.59  0.26  1.0

data_NaMnAsO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.17
_cell_length_b   6.35
_cell_length_c   10.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnAsO4
_chemical_formula_sum   'Na4 Mn4 As4 O16'
_cell_volume   356.23
_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
  Na  Na0  1  -0.0  0.82  -0.0  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Na  Na2  1  0.41  0.0  0.58  1.0
  Na  Na3  1  0.41  0.82  0.58  1.0
  Mn  Mn4  1  0.4  0.24  0.54  1.0
  Mn  Mn5  1  0.43  0.41  0.62  1.0
  Mn  Mn6  1  0.85  0.24  0.96  1.0
  Mn  Mn7  1  0.98  0.41  0.19  1.0
  As  As8  1  0.12  0.41  0.28  1.0
  As  As9  1  0.13  0.41  0.7  1.0
  As  As10  1  0.7  0.24  0.45  1.0
  As  As11  1  0.71  0.24  0.88  1.0
  O  O12  1  0.01  0.24  0.82  1.0
  O  O13  1  0.09  0.24  0.06  1.0
  O  O14  1  0.23  0.24  0.4  1.0
  O  O15  1  0.32  0.24  0.64  1.0
  O  O16  1  0.35  0.08  0.08  1.0
  O  O17  1  0.35  0.74  0.08  1.0
  O  O18  1  0.48  0.57  0.07  1.0
  O  O19  1  0.48  0.91  0.07  1.0
  O  O20  1  0.51  0.41  0.52  1.0
  O  O21  1  0.6  0.41  0.76  1.0
  O  O22  1  0.74  0.41  0.09  1.0
  O  O23  1  0.82  0.41  0.33  1.0
  O  O24  1  0.89  0.08  0.51  1.0
  O  O25  1  0.89  0.74  0.51  1.0
  O  O26  1  0.94  0.57  0.65  1.0
  O  O27  1  0.94  0.91  0.65  1.0

Na Na Na Na Mn Mn Mn Mn As As As As O O O O O O O O O O O O O O O O
NaMnAsO4 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one Na(2), one Mn(4), one O(1), one O(11), one O(13), and one O(7) atom. The Na(1)-Na(2) bond length is 1.12 Å. The Na(1)-Mn(4) bond length is 1.75 Å. The Na(1)-O(1) bond length is 1.70 Å. The Na(1)-O(11) bond length is 2.08 Å. The Na(1)-O(13) bond length is 2.46 Å. The Na(1)-O(7) bond length is 2.86 Å. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to one Na(1), one O(10), and one O(7) atom. The Na(2)-O(10) bond length is 2.08 Å. The Na(2)-O(7) bond length is 2.84 Å. In the third Na site, Na(3) is bonded in a 2-coordinate geometry to one Na(4), one Mn(3), one O(8), and two equivalent O(3) atoms. The Na(3)-Na(4) bond length is 1.12 Å. The Na(3)-Mn(3) bond length is 1.56 Å. The Na(3)-O(8) bond length is 1.70 Å. There is one shorter (2.66 Å) and one longer (2.86 Å) Na(3)-O(3) bond length. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one Na(3), one Mn(2), one O(9), two equivalent O(14), and two equivalent O(3) atoms. The Na(4)-Mn(2) bond length is 2.65 Å. The Na(4)-O(9) bond length is 2.74 Å. There is one shorter (2.65 Å) and one longer (2.84 Å) Na(4)-O(14) bond length. There is one shorter (2.65 Å) and one longer (2.84 Å) Na(4)-O(3) bond length. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one As(3), one O(1), one O(16), and one O(4) atom. The Mn(1)-As(3) bond length is 1.15 Å. The Mn(1)-O(1) bond length is 1.92 Å. The Mn(1)-O(16) bond length is 1.68 Å. The Mn(1)-O(4) bond length is 1.74 Å. In the second Mn site, Mn(2) is bonded in a 3-coordinate geometry to one Na(4), one As(4), one O(5), one O(8), and one O(9) atom. The Mn(2)-As(4) bond length is 1.82 Å. The Mn(2)-O(5) bond length is 1.74 Å. The Mn(2)-O(8) bond length is 1.27 Å. The Mn(2)-O(9) bond length is 1.15 Å. In the third Mn site, Mn(3) is bonded in a 2-coordinate geometry to one Na(3), one As(1), one O(12), one O(8), and one O(9) atom. The Mn(3)-As(1) bond length is 1.82 Å. The Mn(3)-O(12) bond length is 1.74 Å. The Mn(3)-O(8) bond length is 1.15 Å. The Mn(3)-O(9) bond length is 1.27 Å. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one Na(1), one As(2), one O(1), one O(13), and one O(16) atom. The Mn(4)-As(2) bond length is 1.15 Å. The Mn(4)-O(1) bond length is 1.68 Å. The Mn(4)-O(13) bond length is 1.74 Å. The Mn(4)-O(16) bond length is 1.92 Å. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 4-coordinate geometry to one Mn(3), one O(15), one O(4), and one O(9) atom. The As(1)-O(15) bond length is 1.51 Å. The As(1)-O(4) bond length is 1.80 Å. The As(1)-O(9) bond length is 1.66 Å. In the second As site, As(2) is bonded in a distorted T-shaped geometry to one Mn(4), one O(13), and one O(5) atom. The As(2)-O(13) bond length is 1.67 Å. The As(2)-O(5) bond length is 1.80 Å. In the third As site, As(3) is bonded in a distorted T-shaped geometry to one Mn(1), one O(12), and one O(4) atom. The As(3)-O(12) bond length is 1.80 Å. The As(3)-O(4) bond length is 1.67 Å. In the fourth As site, As(4) is bonded in a 4-coordinate geometry to one Mn(2), one O(13), one O(2), and one O(8) atom. The As(4)-O(13) bond length is 1.80 Å. The As(4)-O(2) bond length is 1.51 Å. The As(4)-O(8) bond length is 1.66 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Mn(1), one Mn(4), and one O(11) atom. The O(1)-O(11) bond length is 1.66 Å. In the second O site, O(2) is bonded in a single-bond geometry to one As(4) and one O(14) atom. The O(2)-O(14) bond length is 1.90 Å. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Na(3), two equivalent Na(4), one O(14), and one O(15) atom. The O(3)-O(14) bond length is 1.86 Å. The O(3)-O(15) bond length is 1.90 Å. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one As(1), and one As(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one As(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one O(10) and one O(16) atom. The O(6)-O(10) bond length is 1.31 Å. The O(6)-O(16) bond length is 1.66 Å. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one O(10), and one O(11) atom. The O(7)-O(10) bond length is 1.25 Å. The O(7)-O(11) bond length is 1.31 Å. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(3), one Mn(2), one Mn(3), and one As(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(4), one Mn(2), one Mn(3), and one As(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Na(2), one O(6), and one O(7) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one O(1), and one O(7) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Mn(3) and one As(3) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Na(1), one Mn(4), one As(2), and one As(4) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to two equivalent Na(4), one O(2), and one O(3) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one As(1) and one O(3) atom. In the sixteenth O site, O(16) is bonded in a distorted water-like geometry to one Mn(1), one Mn(4), and one O(6) atom.