data_global
_chemical_name_mineral 'Erythrite'
loop_
_publ_author_name
'Wildner M'
'Giester G'
'Lengauer C L'
'McCammon C A'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 8 
_journal_year 1996
_journal_page_first 187
_journal_page_last 192
_publ_section_title
;
 Structure and crystal chemistry of vivianite-type compounds: Crystal
 structures of erythrite and annabergite with a Mossbauer study of erythrite
;
_database_code_amcsd 0006617
_chemical_formula_sum 'Co2.01 Fe.74 Ni.25 As2 O16 H16'
_cell_length_a 10.251
_cell_length_b 13.447
_cell_length_c 4.764
_cell_angle_alpha 90
_cell_angle_beta 104.98
_cell_angle_gamma 90
_cell_volume 634.378
_exptl_crystal_density_diffrn      3.122
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
CoMe1   0.00000   0.00000   0.00000   1.00000 ?
CoMe2   0.00000   0.38512   0.00000   0.50500 ?
FeMe2   0.00000   0.38512   0.00000   0.37000 ?
NiMe2   0.00000   0.38512   0.00000   0.12500 ?
As   0.31621   0.00000   0.37235   1.00000 ?
O1   0.14930   0.00000   0.37480   1.00000 ?
O2   0.40570   0.00000   0.72260   1.00000 ?
O3   0.34330   0.10670   0.20870   1.00000 ?
OW1   0.09780   0.11370   0.80670   1.00000 ?
OW2   0.39950   0.22730   0.71330   1.00000 ?
H11   0.11900   0.09100   0.65700   1.00000   0.01560
H12   0.16300   0.12700   0.90200   1.00000   0.03060
H21   0.36800   0.20800   0.53600   1.00000   0.04640
H22   0.44800   0.28200   0.71400   1.00000   0.04160
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
CoMe1 0.01120 0.01700 0.00800 0.00000 -0.00050 0.00000
CoMe2 0.01360 0.01560 0.00990 0.00000 0.00100 0.00000
FeMe2 0.01360 0.01560 0.00990 0.00000 0.00100 0.00000
NiMe2 0.01360 0.01560 0.00990 0.00000 0.00100 0.00000
As 0.01000 0.01460 0.00710 0.00000 -0.00020 0.00000
O1 0.00970 0.02270 0.00940 0.00000 0.00050 0.00000
O2 0.01660 0.01760 0.00580 0.00000 -0.00250 0.00000
O3 0.01570 0.01510 0.01400 -0.00050 0.00350 0.00270
OW1 0.01560 0.02270 0.01390 -0.00190 0.00100 -0.00110
OW2 0.02790 0.02210 0.01690 0.00210 0.00370 0.00200