The crystal structure described by GaFeO3 crystallizes in the triclinic P1 space group. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(9) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(12), one O(4), one O(6), and one O(7) atom. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(13), one O(15), one O(18), one O(8), and one O(9) atom. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(16), one O(17), and one O(7) atom. In the fifth Fe site, Fe(5) is bonded in a 4-coordinate geometry to one O(13), one O(14), one O(15), one O(19), and one O(21) atom. In the sixth Fe site, Fe(6) is bonded in a 5-coordinate geometry to one O(1), one O(15), one O(18), one O(21), and one O(23) atom. In the seventh Fe site, Fe(7) is bonded in a 4-coordinate geometry to one O(16), one O(18), one O(19), one O(22), one O(23), and one O(24) atom. In the eighth Fe site, Fe(8) is bonded in a 5-coordinate geometry to one O(1), one O(20), one O(21), one O(3), and one O(6) atom. There are eight inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 5-coordinate geometry to one O(19), one O(22), one O(24), one O(4), and one O(5) atom. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one O(23), one O(3), and one O(8) atom. In the third Ga site, Ga(3) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(24), one O(4), and one O(7) atom. In the fourth Ga site, Ga(4) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(3), one O(6), and one O(9) atom. In the fifth Ga site, Ga(5) is bonded in a single-bond geometry to one O(10), one O(14), and one O(5) atom. In the sixth Ga site, Ga(6) is bonded in a single-bond geometry to one O(11), one O(15), and one O(20) atom. In the seventh Ga site, Ga(7) is bonded in a 5-coordinate geometry to one O(12), one O(14), one O(16), one O(19), and one O(22) atom. In the eighth Ga site, Ga(8) is bonded in a single-bond geometry to one O(17), one O(2), and one O(22) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(6), and one Fe(8) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Fe(1), one Ga(3), and one Ga(8) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(8), one Ga(2), and one Ga(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(2), one Ga(1), and one Ga(3) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Ga(1) and one Ga(5) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one Fe(8), and one Ga(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one Fe(4), and one Ga(3) atom. In the eighth O site, O(8) is bonded in an L-shaped geometry to one Fe(3) and one Ga(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one Ga(4) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Fe(2), one Fe(4), one Ga(3), and one Ga(5) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Fe(2), one Ga(4), and one Ga(6) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(4), and one Ga(7) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Fe(3), one Fe(5), and one Ga(4) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Fe(5), one Ga(5), and one Ga(7) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Fe(3), one Fe(5), one Fe(6), and one Ga(6) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Fe(4), one Fe(7), and one Ga(7) atom. In the seventeenth O site, O(17) is bonded in an L-shaped geometry to one Fe(4) and one Ga(8) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Fe(3), one Fe(6), and one Fe(7) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Fe(5), one Fe(7), one Ga(1), and one Ga(7) atom. In the twentieth O site, O(20) is bonded in an L-shaped geometry to one Fe(8) and one Ga(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Fe(5), one Fe(6), and one Fe(8) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Fe(7), one Ga(1), one Ga(7), and one Ga(8) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Fe(6), one Fe(7), and one Ga(2) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Fe(7), one Ga(1), and one Ga(3) atom. is represented by the CIF file [CIF]
data_GaFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.164
_cell_length_b   8.853
_cell_length_c   9.528
_cell_angle_alpha   89.910
_cell_angle_beta   89.907
_cell_angle_gamma   89.915
_symmetry_Int_Tables_number   1
_cell_volume   435.625
_cell_formula_units_Z   8
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
  Ga  Ga0  1  0.203  0.323  0.034  1.0
  Ga  Ga1  1  0.001  0.825  0.153  1.0
  Ga  Ga2  1  0.694  0.186  0.161  1.0
  Ga  Ga3  1  0.694  0.685  0.338  1.0
  Ga  Ga4  1  0.001  0.324  0.347  1.0
  Ga  Ga5  1  0.501  0.675  0.652  1.0
  Ga  Ga6  1  0.194  0.313  0.661  1.0
  Ga  Ga7  1  0.500  0.176  0.847  1.0
  Fe  Fe8  1  0.417  0.812  0.152  1.0
  Fe  Fe9  1  0.417  0.310  0.347  1.0
  Fe  Fe10  1  0.203  0.824  0.469  1.0
  Fe  Fe11  1  0.702  0.175  0.531  1.0
  Fe  Fe12  1  0.918  0.690  0.651  1.0
  Fe  Fe13  1  0.193  0.812  0.840  1.0
  Fe  Fe14  1  0.917  0.191  0.848  1.0
  Fe  Fe15  1  0.702  0.675  0.969  1.0
  O  O16  1  0.297  0.648  0.002  1.0
  O  O17  1  0.568  0.986  0.011  1.0
  O  O18  1  0.803  0.846  0.161  1.0
  O  O19  1  0.327  0.154  0.169  1.0
  O  O20  1  0.061  0.486  0.169  1.0
  O  O21  1  0.578  0.525  0.177  1.0
  O  O22  1  0.576  0.025  0.321  1.0
  O  O23  1  0.060  0.985  0.332  1.0
  O  O24  1  0.329  0.653  0.329  1.0
  O  O25  1  0.803  0.346  0.339  1.0
  O  O26  1  0.569  0.485  0.488  1.0
  O  O27  1  0.299  0.154  0.502  1.0
  O  O28  1  0.797  0.844  0.498  1.0
  O  O29  1  0.069  0.513  0.511  1.0
  O  O30  1  0.304  0.652  0.659  1.0
  O  O31  1  0.828  0.347  0.670  1.0
  O  O32  1  0.560  0.014  0.669  1.0
  O  O33  1  0.074  0.979  0.674  1.0
  O  O34  1  0.076  0.474  0.822  1.0
  O  O35  1  0.560  0.515  0.830  1.0
  O  O36  1  0.830  0.846  0.832  1.0
  O  O37  1  0.302  0.157  0.842  1.0
  O  O38  1  0.069  0.024  0.992  1.0
  O  O39  1  0.797  0.344  0.002  1.0
[/CIF]
.
The crystal structure described by GaFeO3 crystallizes in the triclinic P1 space group. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(9) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(12), one O(4), one O(6), and one O(7) atom. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(13), one O(15), one O(18), one O(8), and one O(9) atom. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(16), one O(17), and one O(7) atom. In the fifth Fe site, Fe(5) is bonded in a 4-coordinate geometry to one O(13), one O(14), one O(15), one O(19), and one O(21) atom. In the sixth Fe site, Fe(6) is bonded in a 5-coordinate geometry to one O(1), one O(15), one O(18), one O(21), and one O(23) atom. In the seventh Fe site, Fe(7) is bonded in a 4-coordinate geometry to one O(16), one O(18), one O(19), one O(22), one O(23), and one O(24) atom. In the eighth Fe site, Fe(8) is bonded in a 5-coordinate geometry to one O(1), one O(20), one O(21), one O(3), and one O(6) atom. There are eight inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 5-coordinate geometry to one O(19), one O(22), one O(24), one O(4), and one O(5) atom. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one O(23), one O(3), and one O(8) atom. In the third Ga site, Ga(3) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(24), one O(4), and one O(7) atom. In the fourth Ga site, Ga(4) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(3), one O(6), and one O(9) atom. In the fifth Ga site, Ga(5) is bonded in a single-bond geometry to one O(10), one O(14), and one O(5) atom. In the sixth Ga site, Ga(6) is bonded in a single-bond geometry to one O(11), one O(15), and one O(20) atom. In the seventh Ga site, Ga(7) is bonded in a 5-coordinate geometry to one O(12), one O(14), one O(16), one O(19), and one O(22) atom. In the eighth Ga site, Ga(8) is bonded in a single-bond geometry to one O(17), one O(2), and one O(22) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(6), and one Fe(8) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Fe(1), one Ga(3), and one Ga(8) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(8), one Ga(2), and one Ga(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(2), one Ga(1), and one Ga(3) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Ga(1) and one Ga(5) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one Fe(8), and one Ga(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one Fe(4), and one Ga(3) atom. In the eighth O site, O(8) is bonded in an L-shaped geometry to one Fe(3) and one Ga(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one Ga(4) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Fe(2), one Fe(4), one Ga(3), and one Ga(5) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Fe(2), one Ga(4), and one Ga(6) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(4), and one Ga(7) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Fe(3), one Fe(5), and one Ga(4) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Fe(5), one Ga(5), and one Ga(7) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Fe(3), one Fe(5), one Fe(6), and one Ga(6) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Fe(4), one Fe(7), and one Ga(7) atom. In the seventeenth O site, O(17) is bonded in an L-shaped geometry to one Fe(4) and one Ga(8) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Fe(3), one Fe(6), and one Fe(7) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Fe(5), one Fe(7), one Ga(1), and one Ga(7) atom. In the twentieth O site, O(20) is bonded in an L-shaped geometry to one Fe(8) and one Ga(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Fe(5), one Fe(6), and one Fe(8) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Fe(7), one Ga(1), one Ga(7), and one Ga(8) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Fe(6), one Fe(7), and one Ga(2) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Fe(7), one Ga(1), and one Ga(3) atom. is represented by the CIF file [CIF]
data_GaFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.164
_cell_length_b   8.853
_cell_length_c   9.528
_cell_angle_alpha   89.910
_cell_angle_beta   89.907
_cell_angle_gamma   89.915
_symmetry_Int_Tables_number   1
_cell_volume   435.625
_cell_formula_units_Z   8
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
  Ga  Ga0  1  0.203  0.323  0.034  1.0
  Ga  Ga1  1  0.001  0.825  0.153  1.0
  Ga  Ga2  1  0.694  0.186  0.161  1.0
  Ga  Ga3  1  0.694  0.685  0.338  1.0
  Ga  Ga4  1  0.001  0.324  0.347  1.0
  Ga  Ga5  1  0.501  0.675  0.652  1.0
  Ga  Ga6  1  0.194  0.313  0.661  1.0
  Ga  Ga7  1  0.500  0.176  0.847  1.0
  Fe  Fe8  1  0.417  0.812  0.152  1.0
  Fe  Fe9  1  0.417  0.310  0.347  1.0
  Fe  Fe10  1  0.203  0.824  0.469  1.0
  Fe  Fe11  1  0.702  0.175  0.531  1.0
  Fe  Fe12  1  0.918  0.690  0.651  1.0
  Fe  Fe13  1  0.193  0.812  0.840  1.0
  Fe  Fe14  1  0.917  0.191  0.848  1.0
  Fe  Fe15  1  0.702  0.675  0.969  1.0
  O  O16  1  0.297  0.648  0.002  1.0
  O  O17  1  0.568  0.986  0.011  1.0
  O  O18  1  0.803  0.846  0.161  1.0
  O  O19  1  0.327  0.154  0.169  1.0
  O  O20  1  0.061  0.486  0.169  1.0
  O  O21  1  0.578  0.525  0.177  1.0
  O  O22  1  0.576  0.025  0.321  1.0
  O  O23  1  0.060  0.985  0.332  1.0
  O  O24  1  0.329  0.653  0.329  1.0
  O  O25  1  0.803  0.346  0.339  1.0
  O  O26  1  0.569  0.485  0.488  1.0
  O  O27  1  0.299  0.154  0.502  1.0
  O  O28  1  0.797  0.844  0.498  1.0
  O  O29  1  0.069  0.513  0.511  1.0
  O  O30  1  0.304  0.652  0.659  1.0
  O  O31  1  0.828  0.347  0.670  1.0
  O  O32  1  0.560  0.014  0.669  1.0
  O  O33  1  0.074  0.979  0.674  1.0
  O  O34  1  0.076  0.474  0.822  1.0
  O  O35  1  0.560  0.515  0.830  1.0
  O  O36  1  0.830  0.846  0.832  1.0
  O  O37  1  0.302  0.157  0.842  1.0
  O  O38  1  0.069  0.024  0.992  1.0
  O  O39  1  0.797  0.344  0.002  1.0
[/CIF]
.