#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/18/9011832.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9011832
loop_
_publ_author_name
'Bonazzi, P.'
'Bindi, L.'
'Medenbach, O.'
'Pagano, R.'
'Lampronti, G. I.'
'Menchetti, S.'
_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)
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              193
_journal_page_last               201
_journal_paper_doi               10.1180/minmag.2007.071.2.193
_journal_volume                  71
_journal_year                    2007
_chemical_compound_source
'N'Chwaning II mine, Republic of South Africa'
_chemical_formula_sum            'Ca1.14 Fe0.01 H2 Mn0.84 O5 Si'
_chemical_name_mineral           Olmiite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.249
_cell_length_b                   9.076
_cell_length_c                   10.342
_cell_formula_units_Z            8
_cell_volume                     868.148
_database_code_amcsd             0014579
_exptl_crystal_density_diffrn    3.099
_cod_original_formula_sum        'Ca1.14 Mn.84 Fe.01 Si O5 H2'
_cod_database_code               9011832
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_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014579
