data_global
_chemical_name_mineral 'Olmiite'
loop_
_publ_author_name
'Bonazzi P'
'Bindi L'
'Medenbach O'
'Pagano R'
'Lampronti G I'
'Menchetti S'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 71 
_journal_year 2007
_journal_page_first 193
_journal_page_last 201
_publ_section_title
;
 Olmiite, CaMn[SiO3(OH)](OH), the Mn-dominant analogue of poldervaartite,
 a new mineral species from Kalahari manganese fields (Republic of South Africa)
;
_database_code_amcsd 0014579
_chemical_compound_source 'N'Chwaning II mine, Republic of South Africa'
_chemical_formula_sum 'Ca1.14 Mn.84 Fe.01 Si O5 H2'
_cell_length_a 9.249
_cell_length_b 9.076
_cell_length_c 10.342
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 868.148
_exptl_crystal_density_diffrn      3.099
_symmetry_space_group_name_H-M 'P b c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-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
Ca   0.15329   0.49245   0.39231   1.00000   0.00920
MnM2   0.50894   0.33741   0.43030   0.84000   0.01030
CaM2   0.50894   0.33741   0.43030   0.14000   0.01030
FeM2   0.50894   0.33741   0.43030   0.01000   0.01030
Si   0.32771   0.21852   0.65915   1.00000   0.00790
O2   0.94410   0.35440   0.43910   1.00000   0.01070
O3   0.10090   0.71440   0.28810   1.00000   0.01220
O4   0.40050   0.55090   0.40120   1.00000   0.01400
O5   0.19560   0.39530   0.18740   1.00000   0.01170
O1   0.25090   0.35680   0.57670   1.00000   0.01510
H1   0.24900   0.44100   0.61900   1.00000   0.04000
H2   0.43000   0.59500   0.33900   1.00000   0.04000
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
Ca 0.01000 0.00990 0.00770 -0.00030 0.00050 0.00020
MnM2 0.01180 0.01040 0.00860 -0.00230 -0.00060 -0.00010
CaM2 0.01180 0.01040 0.00860 -0.00230 -0.00060 -0.00010
FeM2 0.01180 0.01040 0.00860 -0.00230 -0.00060 -0.00010
Si 0.00960 0.00760 0.00650 -0.00010 -0.00010 -0.00020
O2 0.01010 0.01280 0.00940 -0.00140 -0.00180 -0.00170
O3 0.01640 0.01170 0.00860 0.00220 0.00370 0.00200
O4 0.01410 0.01520 0.01270 -0.00160 0.00060 0.00120
O5 0.01220 0.01290 0.00990 0.00230 0.00090 -0.00070
O1 0.02500 0.00760 0.01230 0.00270 -0.00670 -0.00030