data_global
_chemical_name_mineral 'Jahnsite-(CaMnMg)'
loop_
_publ_author_name
'Moore P B'
'Araki T'
_journal_name_full 'American Mineralogist'
_journal_volume 59
_journal_year 1974
_journal_page_first 964
_journal_page_last 973
_publ_section_title
;
 Jahnsite, CaMnMg2(H2O)8Fe2(OH)2[PO4]4: A novel stereoisomerism of
 ligands about octahedral corner-chains
;
_database_code_amcsd 414
_chemical_compound_source 'Tip Top mine, Custer Country, South Dakota, USA'
_chemical_formula_sum 'Ca Mn Mg2 Fe2 P4 O26 H18'
_cell_length_a 14.94
_cell_length_b 7.14
_cell_length_c 9.93
_cell_angle_alpha 90.0
_cell_angle_beta 110.16
_cell_angle_gamma 90.0
_cell_volume 994.353
_exptl_crystal_density_diffrn  2.717
_symmetry_space_group_name_H-M 'P 1 2/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,y,-z'
  '1/2+x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca   0.25  -0.0249  0.0  0.0214
Mn   0.25  0.4775  0.0  0.01418
Mg1   0.5  0.0  0.5  0.01532
Mg2   0.25  0.4963  0.5  0.01216
Fe1   0.0  0.0  0.0  0.02001
Fe2   0.0  0.5  0.0  0.02153
P1   0.183  0.2615  0.1881  0.01165
P2   0.0813  0.7476  0.7978  0.01102
O1   0.2758  0.2345  0.1512  0.02318
O2   0.2041  0.2956  0.3462  0.0209
O3   0.1229  0.0827  0.1399  0.01988
O4   0.1369  0.4352  0.0941  0.01456
O5   0.189  0.6984  0.8553  0.01925
O6   0.0497  0.7802  0.6381  0.01862
O7   0.0747  0.9293  0.8791  0.01634
O8   0.0245  0.5881  0.8314  0.01634
O-H   0.0256  0.7509  0.0935  0.01343
Wat1   0.2231  0.7185  0.3445  0.02647
Wat2   0.4497  0.213  0.3452  0.03002
Wat3   0.6307  -0.0066  0.4629  0.02761
Wat4   0.3917  0.5131  0.5115  0.02178