data_global
_chemical_name_mineral 'Niedermayrite'
loop_
_publ_author_name
'Giester G'
'Rieck B'
'Brandstatter F'
_journal_name_full 'Mineralogy and Petrology'
_journal_volume 63 
_journal_year 1998
_journal_page_first 19
_journal_page_last 34
_publ_section_title
;
 Niedermayrite, Cu4Cd(SO4)2(OH)6*4H2O, a new mineral from the Lavrion Mining District, Greece
;
_database_code_amcsd 0014641
_chemical_compound_source 'Lavrion mining district, Attica peninsula, Greece'
_chemical_formula_sum 'Cu4 Cd S2 O18 H14'
_cell_length_a 5.543
_cell_length_b 21.995
_cell_length_c 6.079
_cell_angle_alpha 90
_cell_angle_beta 92.04
_cell_angle_gamma 90
_cell_volume 740.672
_exptl_crystal_density_diffrn      3.286
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+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
Cu1  -0.00630  -0.00111   0.24915   0.01631
Cu2   0.50000   0.00000   0.50000   0.01690
Cu3   0.50000   0.00000   0.00000   0.01660
Cd   0.62100   0.25000   0.47772   0.02368
S   0.31529   0.13649   0.18170   0.01850
O1   0.50910   0.14834   0.03080   0.02720
O2   0.07960   0.15132   0.07580   0.02730
O3   0.31760   0.07153   0.24520   0.02020
O4   0.34950   0.17410   0.38310   0.03000
O-h1   0.17280  -0.03980   0.49600   0.01830
O-h2  -0.17470   0.03809  -0.00240   0.01710
O-h3   0.62090  -0.04455   0.25680   0.01880
Ow1   0.82960   0.25000   0.18270   0.03070
Ow2   0.43910   0.25000   0.79000   0.03360
Ow3   0.90920   0.32653   0.61480   0.03100
H1   0.17900  -0.07000   0.48300   0.04500
H2  -0.18000   0.07200   0.00300   0.04500
H3   0.56600  -0.07500   0.24600   0.04500
H4   0.88900   0.27700   0.16600   0.04500
H5   0.46700   0.27500   0.87400   0.04500
H6   0.03900   0.32700   0.54000   0.04500
H7   0.95300   0.33200   0.75000   0.04500
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
Cu1 0.01410 0.02230 0.01260 0.00090 0.00030 0.00127
Cu2 0.01300 0.02330 0.01440 -0.00110 0.00160 0.00010
Cu3 0.01300 0.02230 0.01450 0.00110 -0.00030 -0.00050
Cd 0.02330 0.02260 0.02520 0.00000 0.00193 0.00000
S 0.01790 0.01670 0.02090 -0.00130 0.00130 -0.00110
O1 0.02900 0.02200 0.03130 -0.00040 0.01040 -0.00270
O2 0.02260 0.02340 0.03560 -0.00200 -0.00420 0.00430
O3 0.02250 0.01770 0.02040 0.00130 -0.00060 0.00010
O4 0.03340 0.02580 0.03120 -0.01330 0.00480 -0.00780
O-h1 0.01820 0.02070 0.01610 -0.00050 0.00050 0.00200
O-h2 0.01710 0.01520 0.01910 -0.00060 0.00150 0.00110
O-h3 0.01700 0.02080 0.01860 0.00120 0.00030 -0.00200
Ow1 0.03400 0.01500 0.04400 0.00000 0.00800 0.00000
Ow2 0.04500 0.02800 0.02700 0.00000 0.00500 0.00000
Ow3 0.02900 0.03690 0.02710 -0.00370 -0.00010 -0.00630