data_global
_chemical_name_mineral 'Nchwaningite'
loop_
_publ_author_name
'Nyfeler D'
'Armbruster T'
'Dixon R'
'Bermanec V'
_journal_name_full 'American Mineralogist'
_journal_volume 80 
_journal_year 1995
_journal_page_first 377
_journal_page_last 386
_publ_section_title
;
 Nchwaningite, Mn2SiO3(OH)2.H2O, a new pyroxene-related chain silicate from the
 N'chwaning mine, Kalahari manganese field, South Africa
;
_database_code_amcsd 0001731
_chemical_compound_source 'N'chwaning mine, South Africa'
_chemical_formula_sum 'Mn1.85 Mg.106 Al.012 Fe.008 Ca.008 Si O6 H4'
_cell_length_a 12.672
_cell_length_b 7.217
_cell_length_c 5.341
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 488.455
_exptl_crystal_density_diffrn      3.174
_symmetry_space_group_name_H-M 'P c a 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,-y,z'
  '1/2-x,y,1/2+z'
  '-x,-y,1/2+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
Mn1   0.18811   0.82325   0.00000   0.92500 ?
Mg1   0.18811   0.82325   0.00000   0.05300 ?
Al1   0.18811   0.82325   0.00000   0.00600 ?
Fe1   0.18811   0.82325   0.00000   0.00400 ?
Ca1   0.18811   0.82325   0.00000   0.00400 ?
Mn2   0.95789   0.16870  -0.02200   0.92500 ?
Mg2   0.95789   0.16870  -0.02200   0.05300 ?
Al2   0.95789   0.16870  -0.02200   0.00600 ?
Fe2   0.95789   0.16870  -0.02200   0.00400 ?
Ca2   0.95789   0.16870  -0.02200   0.00400 ?
Si   0.81410  -0.21390   0.18770   1.00000 ?
O1   0.81710   0.00970   0.17330   1.00000 ?
O-h2   0.92580  -0.01590  -0.32820   1.00000 ?
O-h3   0.67870   0.31780   0.34430   1.00000 ?
O-h4   0.94590   0.34180   0.33360   1.00000 ?
O5   0.92730  -0.30840   0.23100   1.00000 ?
O6   0.76770  -0.28470  -0.08890   1.00000 ?
H2   0.88100  -0.10900   0.75000   1.00000   0.02000
H3   0.68100   0.45200   0.35500   1.00000   0.02000
H4   0.93600   0.47200   0.29600   1.00000   0.02000
H41   0.99600   0.33800   0.47000   1.00000   0.02000
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
Mn1 0.01110 0.01130 0.07700 0.00020 0.00030 0.00100
Mg1 0.01110 0.01130 0.07700 0.00020 0.00030 0.00100
Al1 0.01110 0.01130 0.07700 0.00020 0.00030 0.00100
Fe1 0.01110 0.01130 0.07700 0.00020 0.00030 0.00100
Ca1 0.01110 0.01130 0.07700 0.00020 0.00030 0.00100
Mn2 0.01080 0.01180 0.00840 0.00140 -0.00050 -0.00010
Mg2 0.01080 0.01180 0.00840 0.00140 -0.00050 -0.00010
Al2 0.01080 0.01180 0.00840 0.00140 -0.00050 -0.00010
Fe2 0.01080 0.01180 0.00840 0.00140 -0.00050 -0.00010
Ca2 0.01080 0.01180 0.00840 0.00140 -0.00050 -0.00010
Si 0.00890 0.00780 0.00780 0.00030 0.00010 -0.00020
O1 0.01310 0.00790 0.00900 0.00050 -0.00040 -0.00040
O-h2 0.01170 0.01190 0.01230 0.00030 -0.00060 0.00110
O-h3 0.01590 0.00800 0.01270 -0.00190 0.00060 -0.00050
O-h4 0.01710 0.01300 0.01300 0.00060 -0.00360 -0.00080
O5 0.01040 0.01160 0.01320 0.00130 -0.00090 0.00030
O6 0.01530 0.01060 0.00800 0.00130 -0.00210 -0.00160