The crystal structure described by CrMn2As3 is Modderite-derived structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one As(2), one As(4), two equivalent As(10), and two equivalent As(7) atoms. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one As(3), one As(5), two equivalent As(11), and two equivalent As(8) atoms. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to one As(1), one As(6), two equivalent As(12), and two equivalent As(9) atoms. In the fourth Cr site, Cr(4) is bonded in a 6-coordinate geometry to one As(2), one As(4), two equivalent As(10), and two equivalent As(7) atoms. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one As(3), one As(5), two equivalent As(11), and two equivalent As(8) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one As(1), one As(6), two equivalent As(12), and two equivalent As(9) atoms. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one As(10), one As(9), two equivalent As(1), and two equivalent As(4) atoms. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one As(11), one As(7), two equivalent As(2), and two equivalent As(5) atoms. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one As(12), one As(8), two equivalent As(3), and two equivalent As(6) atoms. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one As(10), one As(9), two equivalent As(1), and two equivalent As(4) atoms. In the seventh Mn site, Mn(7) is bonded in a 6-coordinate geometry to one As(11), one As(7), two equivalent As(2), and two equivalent As(5) atoms. In the eighth Mn site, Mn(8) is bonded in a 6-coordinate geometry to one As(12), one As(8), two equivalent As(3), and two equivalent As(6) atoms. There are twelve inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to one Cr(3), one Mn(2), two equivalent Mn(3), and two equivalent Mn(6) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to one Cr(1), one Cr(4), two equivalent Mn(4), and two equivalent Mn(7) atoms. In the third As site, As(3) is bonded in a 6-coordinate geometry to one Cr(2), one Mn(1), two equivalent Mn(5), and two equivalent Mn(8) atoms. In the fourth As site, As(4) is bonded in a 6-coordinate geometry to one Cr(1), one Cr(4), two equivalent Mn(3), and two equivalent Mn(6) atoms. In the fifth As site, As(5) is bonded in a 6-coordinate geometry to one Cr(2), one Mn(1), two equivalent Mn(4), and two equivalent Mn(7) atoms. In the sixth As site, As(6) is bonded in a 6-coordinate geometry to one Cr(3), one Mn(2), two equivalent Mn(5), and two equivalent Mn(8) atoms. In the seventh As site, As(7) is bonded in a 6-coordinate geometry to two equivalent Cr(1), two equivalent Cr(4), one Mn(4), and one Mn(7) atom. In the eighth As site, As(8) is bonded in a 6-coordinate geometry to two equivalent Cr(2), one Mn(5), one Mn(8), and two equivalent Mn(1) atoms. In the ninth As site, As(9) is bonded in a 6-coordinate geometry to two equivalent Cr(3), one Mn(3), one Mn(6), and two equivalent Mn(2) atoms. In the tenth As site, As(10) is bonded in a 6-coordinate geometry to two equivalent Cr(1), two equivalent Cr(4), one Mn(3), and one Mn(6) atom. In the eleventh As site, As(11) is bonded in a 6-coordinate geometry to two equivalent Cr(2), one Mn(4), one Mn(7), and two equivalent Mn(1) atoms. In the twelfth As site, As(12) is bonded in a 6-coordinate geometry to two equivalent Cr(3), one Mn(5), one Mn(8), and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Mn2CrAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.435
_cell_length_b   5.573
_cell_length_c   18.270
_cell_angle_alpha   89.882
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.695
_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
  Mn  Mn0  1  0.500  0.003  0.397  1.0
  Mn  Mn1  1  0.500  0.002  0.064  1.0
  Mn  Mn2  1  0.000  0.496  0.899  1.0
  Mn  Mn3  1  0.000  0.498  0.564  1.0
  Mn  Mn4  1  0.000  0.498  0.231  1.0
  Mn  Mn5  1  0.000  0.996  0.937  1.0
  Mn  Mn6  1  0.000  0.997  0.600  1.0
  Mn  Mn7  1  0.000  0.997  0.269  1.0
  Cr  Cr8  1  0.500  0.504  0.769  1.0
  Cr  Cr9  1  0.500  0.503  0.435  1.0
  Cr  Cr10  1  0.500  0.504  0.102  1.0
  Cr  Cr11  1  0.500  0.004  0.732  1.0
  As  As12  1  0.500  0.698  0.974  1.0
  As  As13  1  0.500  0.701  0.639  1.0
  As  As14  1  0.500  0.698  0.306  1.0
  As  As15  1  0.500  0.200  0.861  1.0
  As  As16  1  0.500  0.198  0.527  1.0
  As  As17  1  0.500  0.199  0.194  1.0
  As  As18  1  0.000  0.299  0.693  1.0
  As  As19  1  0.000  0.299  0.360  1.0
  As  As20  1  0.000  0.300  0.028  1.0
  As  As21  1  0.000  0.798  0.807  1.0
  As  As22  1  0.000  0.804  0.473  1.0
  As  As23  1  0.000  0.803  0.141  1.0
[/CIF]
.
The crystal structure described by CrMn2As3 is Modderite-derived structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one As(2), one As(4), two equivalent As(10), and two equivalent As(7) atoms. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one As(3), one As(5), two equivalent As(11), and two equivalent As(8) atoms. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to one As(1), one As(6), two equivalent As(12), and two equivalent As(9) atoms. In the fourth Cr site, Cr(4) is bonded in a 6-coordinate geometry to one As(2), one As(4), two equivalent As(10), and two equivalent As(7) atoms. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one As(3), one As(5), two equivalent As(11), and two equivalent As(8) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one As(1), one As(6), two equivalent As(12), and two equivalent As(9) atoms. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one As(10), one As(9), two equivalent As(1), and two equivalent As(4) atoms. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one As(11), one As(7), two equivalent As(2), and two equivalent As(5) atoms. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one As(12), one As(8), two equivalent As(3), and two equivalent As(6) atoms. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one As(10), one As(9), two equivalent As(1), and two equivalent As(4) atoms. In the seventh Mn site, Mn(7) is bonded in a 6-coordinate geometry to one As(11), one As(7), two equivalent As(2), and two equivalent As(5) atoms. In the eighth Mn site, Mn(8) is bonded in a 6-coordinate geometry to one As(12), one As(8), two equivalent As(3), and two equivalent As(6) atoms. There are twelve inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to one Cr(3), one Mn(2), two equivalent Mn(3), and two equivalent Mn(6) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to one Cr(1), one Cr(4), two equivalent Mn(4), and two equivalent Mn(7) atoms. In the third As site, As(3) is bonded in a 6-coordinate geometry to one Cr(2), one Mn(1), two equivalent Mn(5), and two equivalent Mn(8) atoms. In the fourth As site, As(4) is bonded in a 6-coordinate geometry to one Cr(1), one Cr(4), two equivalent Mn(3), and two equivalent Mn(6) atoms. In the fifth As site, As(5) is bonded in a 6-coordinate geometry to one Cr(2), one Mn(1), two equivalent Mn(4), and two equivalent Mn(7) atoms. In the sixth As site, As(6) is bonded in a 6-coordinate geometry to one Cr(3), one Mn(2), two equivalent Mn(5), and two equivalent Mn(8) atoms. In the seventh As site, As(7) is bonded in a 6-coordinate geometry to two equivalent Cr(1), two equivalent Cr(4), one Mn(4), and one Mn(7) atom. In the eighth As site, As(8) is bonded in a 6-coordinate geometry to two equivalent Cr(2), one Mn(5), one Mn(8), and two equivalent Mn(1) atoms. In the ninth As site, As(9) is bonded in a 6-coordinate geometry to two equivalent Cr(3), one Mn(3), one Mn(6), and two equivalent Mn(2) atoms. In the tenth As site, As(10) is bonded in a 6-coordinate geometry to two equivalent Cr(1), two equivalent Cr(4), one Mn(3), and one Mn(6) atom. In the eleventh As site, As(11) is bonded in a 6-coordinate geometry to two equivalent Cr(2), one Mn(4), one Mn(7), and two equivalent Mn(1) atoms. In the twelfth As site, As(12) is bonded in a 6-coordinate geometry to two equivalent Cr(3), one Mn(5), one Mn(8), and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Mn2CrAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.435
_cell_length_b   5.573
_cell_length_c   18.270
_cell_angle_alpha   89.882
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.695
_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
  Mn  Mn0  1  0.500  0.003  0.397  1.0
  Mn  Mn1  1  0.500  0.002  0.064  1.0
  Mn  Mn2  1  0.000  0.496  0.899  1.0
  Mn  Mn3  1  0.000  0.498  0.564  1.0
  Mn  Mn4  1  0.000  0.498  0.231  1.0
  Mn  Mn5  1  0.000  0.996  0.937  1.0
  Mn  Mn6  1  0.000  0.997  0.600  1.0
  Mn  Mn7  1  0.000  0.997  0.269  1.0
  Cr  Cr8  1  0.500  0.504  0.769  1.0
  Cr  Cr9  1  0.500  0.503  0.435  1.0
  Cr  Cr10  1  0.500  0.504  0.102  1.0
  Cr  Cr11  1  0.500  0.004  0.732  1.0
  As  As12  1  0.500  0.698  0.974  1.0
  As  As13  1  0.500  0.701  0.639  1.0
  As  As14  1  0.500  0.698  0.306  1.0
  As  As15  1  0.500  0.200  0.861  1.0
  As  As16  1  0.500  0.198  0.527  1.0
  As  As17  1  0.500  0.199  0.194  1.0
  As  As18  1  0.000  0.299  0.693  1.0
  As  As19  1  0.000  0.299  0.360  1.0
  As  As20  1  0.000  0.300  0.028  1.0
  As  As21  1  0.000  0.798  0.807  1.0
  As  As22  1  0.000  0.804  0.473  1.0
  As  As23  1  0.000  0.803  0.141  1.0
[/CIF]
.