The structure described by FeH4(CO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to one O(11); one O(18); one O(19); one O(9); and two equivalent O(2,4) atoms. In the second Fe site, Fe(2) is bonded in an octahedral geometry to one O(13), one O(15), one O(22), one O(23), one O(6), and one O(8) atom. In the third Fe site, Fe(3) is bonded in an octahedral geometry to one O(1), one O(10), one O(12), one O(17), one O(20), and one O(3) atom. In the fourth Fe site, Fe(4) is bonded in an octahedral geometry to one O(14), one O(16), one O(21), one O(24), one O(5), and one O(7) atom. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(9) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(2,4) atom. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one O(11) and one O(3) atom. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one O(12) and one O(2,4) atom. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one O(13) and one O(5) atom. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one O(14) and one O(6) atom. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one O(15) and one O(7) atom. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one O(16) and one O(8) atom. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(17) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(18) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(19) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(20) and one O(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(21) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(1) and one O(22) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(23) and one O(3) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(24) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(15) and one O(17) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(16) and one O(18) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(13) and one O(19) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(14) and one O(20) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(11) and one O(21) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(12) and one O(22) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(23) and one O(9) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(10) and one O(24) atom. There are twenty-three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(3), one C(1), and one H(6) atom. In the second O site, O(2,4) is bonded in a 2-coordinate geometry to one Fe(1) and one C(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(3), one C(3), and one H(7) atom. In the fourth O site, O(5) is bonded in a 2-coordinate geometry to one Fe(4) and one C(5) atom. In the fifth O site, O(6) is bonded in a 2-coordinate geometry to one Fe(2) and one C(6) atom. In the sixth O site, O(7) is bonded in a 2-coordinate geometry to one Fe(4) and one C(7) atom. In the seventh O site, O(8) is bonded in a 3-coordinate geometry to one Fe(2), one C(8), and one H(4) atom. In the eighth O site, O(9) is bonded in a 3-coordinate geometry to one Fe(1), one C(1), and one H(15) atom. In the ninth O site, O(10) is bonded in a 3-coordinate geometry to one Fe(3), one C(2), and one H(16) atom. In the tenth O site, O(11) is bonded in a 3-coordinate geometry to one Fe(1), one C(3), and one H(13) atom. In the eleventh O site, O(12) is bonded in a 3-coordinate geometry to one Fe(3), one C(4), and one H(14) atom. In the twelfth O site, O(13) is bonded in a 3-coordinate geometry to one Fe(2), one C(5), and one H(11) atom. In the thirteenth O site, O(14) is bonded in a 3-coordinate geometry to one Fe(4), one C(6), and one H(12) atom. In the fourteenth O site, O(15) is bonded in a 3-coordinate geometry to one Fe(2), one C(7), and one H(9) atom. In the fifteenth O site, O(16) is bonded in a 3-coordinate geometry to one Fe(4), one C(8), and one H(10) atom. In the sixteenth O site, O(17) is bonded in a distorted water-like geometry to one Fe(3), one H(1), and one H(9) atom. In the seventeenth O site, O(18) is bonded in a distorted water-like geometry to one Fe(1), one H(10), and one H(2) atom. In the eighteenth O site, O(19) is bonded in a distorted water-like geometry to one Fe(1), one H(11), and one H(3) atom. In the nineteenth O site, O(20) is bonded in a distorted water-like geometry to one Fe(3), one H(12), and one H(4) atom. In the twentieth O site, O(21) is bonded in a distorted water-like geometry to one Fe(4), one H(13), and one H(5) atom. In the twenty-first O site, O(22) is bonded in a distorted water-like geometry to one Fe(2), one H(14), and one H(6) atom. In the twenty-second O site, O(23) is bonded in a distorted water-like geometry to one Fe(2), one H(15), and one H(7) atom. In the twenty-third O site, O(24) is bonded in a distorted water-like geometry to one Fe(4), one H(16), and one H(8) atom. is represented by the CIF card [CIF]
data_FeH4(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.661
_cell_length_b   6.902
_cell_length_c   8.143
_cell_angle_alpha   80.943
_cell_angle_beta   69.679
_cell_angle_gamma   65.795
_symmetry_Int_Tables_number   1
_cell_volume   272.082
_cell_formula_units_Z   2
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
  C  C0  1  0.135  0.249  0.148  1.0
  C  C1  1  0.032  0.250  0.352  1.0
  C  C2  1  0.865  0.751  0.852  1.0
  C  C3  1  0.968  0.749  0.648  1.0
  Fe  Fe4  1  0.583  0.250  0.250  1.0
  Fe  Fe5  1  0.417  0.750  0.750  1.0
  H  H6  1  0.499  0.665  0.144  1.0
  H  H7  1  0.808  0.835  0.356  1.0
  H  H8  1  0.501  0.336  0.856  1.0
  H  H9  1  0.192  0.165  0.644  1.0
  H  H10  1  0.349  0.664  0.354  1.0
  H  H11  1  0.867  0.836  0.146  1.0
  H  H12  1  0.651  0.336  0.646  1.0
  H  H13  1  0.132  0.164  0.854  1.0
  O  O14  1  0.372  0.249  0.072  1.0
  O  O15  1  0.194  0.251  0.428  1.0
  O  O16  1  0.628  0.751  0.928  1.0
  O  O17  1  0.806  0.749  0.572  1.0
  O  O18  1  0.974  0.249  0.072  1.0
  O  O19  1  0.795  0.251  0.428  1.0
  O  O20  1  0.026  0.752  0.928  1.0
  O  O21  1  0.206  0.748  0.572  1.0
  O  O22  1  0.414  0.587  0.244  1.0
  O  O23  1  0.745  0.913  0.256  1.0
  O  O24  1  0.586  0.413  0.756  1.0
  O  O25  1  0.255  0.087  0.744  1.0
[/CIF]
.
The structure described by FeH4(CO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to one O(11); one O(18); one O(19); one O(9); and two equivalent O(2,4) atoms. In the second Fe site, Fe(2) is bonded in an octahedral geometry to one O(13), one O(15), one O(22), one O(23), one O(6), and one O(8) atom. In the third Fe site, Fe(3) is bonded in an octahedral geometry to one O(1), one O(10), one O(12), one O(17), one O(20), and one O(3) atom. In the fourth Fe site, Fe(4) is bonded in an octahedral geometry to one O(14), one O(16), one O(21), one O(24), one O(5), and one O(7) atom. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(9) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(2,4) atom. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one O(11) and one O(3) atom. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one O(12) and one O(2,4) atom. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one O(13) and one O(5) atom. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one O(14) and one O(6) atom. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one O(15) and one O(7) atom. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one O(16) and one O(8) atom. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(17) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(18) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(19) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(20) and one O(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(21) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(1) and one O(22) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(23) and one O(3) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(24) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(15) and one O(17) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(16) and one O(18) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(13) and one O(19) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(14) and one O(20) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(11) and one O(21) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(12) and one O(22) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(23) and one O(9) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(10) and one O(24) atom. There are twenty-three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(3), one C(1), and one H(6) atom. In the second O site, O(2,4) is bonded in a 2-coordinate geometry to one Fe(1) and one C(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(3), one C(3), and one H(7) atom. In the fourth O site, O(5) is bonded in a 2-coordinate geometry to one Fe(4) and one C(5) atom. In the fifth O site, O(6) is bonded in a 2-coordinate geometry to one Fe(2) and one C(6) atom. In the sixth O site, O(7) is bonded in a 2-coordinate geometry to one Fe(4) and one C(7) atom. In the seventh O site, O(8) is bonded in a 3-coordinate geometry to one Fe(2), one C(8), and one H(4) atom. In the eighth O site, O(9) is bonded in a 3-coordinate geometry to one Fe(1), one C(1), and one H(15) atom. In the ninth O site, O(10) is bonded in a 3-coordinate geometry to one Fe(3), one C(2), and one H(16) atom. In the tenth O site, O(11) is bonded in a 3-coordinate geometry to one Fe(1), one C(3), and one H(13) atom. In the eleventh O site, O(12) is bonded in a 3-coordinate geometry to one Fe(3), one C(4), and one H(14) atom. In the twelfth O site, O(13) is bonded in a 3-coordinate geometry to one Fe(2), one C(5), and one H(11) atom. In the thirteenth O site, O(14) is bonded in a 3-coordinate geometry to one Fe(4), one C(6), and one H(12) atom. In the fourteenth O site, O(15) is bonded in a 3-coordinate geometry to one Fe(2), one C(7), and one H(9) atom. In the fifteenth O site, O(16) is bonded in a 3-coordinate geometry to one Fe(4), one C(8), and one H(10) atom. In the sixteenth O site, O(17) is bonded in a distorted water-like geometry to one Fe(3), one H(1), and one H(9) atom. In the seventeenth O site, O(18) is bonded in a distorted water-like geometry to one Fe(1), one H(10), and one H(2) atom. In the eighteenth O site, O(19) is bonded in a distorted water-like geometry to one Fe(1), one H(11), and one H(3) atom. In the nineteenth O site, O(20) is bonded in a distorted water-like geometry to one Fe(3), one H(12), and one H(4) atom. In the twentieth O site, O(21) is bonded in a distorted water-like geometry to one Fe(4), one H(13), and one H(5) atom. In the twenty-first O site, O(22) is bonded in a distorted water-like geometry to one Fe(2), one H(14), and one H(6) atom. In the twenty-second O site, O(23) is bonded in a distorted water-like geometry to one Fe(2), one H(15), and one H(7) atom. In the twenty-third O site, O(24) is bonded in a distorted water-like geometry to one Fe(4), one H(16), and one H(8) atom. is represented by the CIF card [CIF]
data_FeH4(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.661
_cell_length_b   6.902
_cell_length_c   8.143
_cell_angle_alpha   80.943
_cell_angle_beta   69.679
_cell_angle_gamma   65.795
_symmetry_Int_Tables_number   1
_cell_volume   272.082
_cell_formula_units_Z   2
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
  C  C0  1  0.135  0.249  0.148  1.0
  C  C1  1  0.032  0.250  0.352  1.0
  C  C2  1  0.865  0.751  0.852  1.0
  C  C3  1  0.968  0.749  0.648  1.0
  Fe  Fe4  1  0.583  0.250  0.250  1.0
  Fe  Fe5  1  0.417  0.750  0.750  1.0
  H  H6  1  0.499  0.665  0.144  1.0
  H  H7  1  0.808  0.835  0.356  1.0
  H  H8  1  0.501  0.336  0.856  1.0
  H  H9  1  0.192  0.165  0.644  1.0
  H  H10  1  0.349  0.664  0.354  1.0
  H  H11  1  0.867  0.836  0.146  1.0
  H  H12  1  0.651  0.336  0.646  1.0
  H  H13  1  0.132  0.164  0.854  1.0
  O  O14  1  0.372  0.249  0.072  1.0
  O  O15  1  0.194  0.251  0.428  1.0
  O  O16  1  0.628  0.751  0.928  1.0
  O  O17  1  0.806  0.749  0.572  1.0
  O  O18  1  0.974  0.249  0.072  1.0
  O  O19  1  0.795  0.251  0.428  1.0
  O  O20  1  0.026  0.752  0.928  1.0
  O  O21  1  0.206  0.748  0.572  1.0
  O  O22  1  0.414  0.587  0.244  1.0
  O  O23  1  0.745  0.913  0.256  1.0
  O  O24  1  0.586  0.413  0.756  1.0
  O  O25  1  0.255  0.087  0.744  1.0
[/CIF]
.