#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/67/9016767.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_9016767
loop_
_publ_author_name
'Nyfeler, D.'
'Armbruster, T.'
'Dixon, R.'
'Bermanec, V.'
_publ_section_title
;
 Nchwaningite, Mn2SiO3(OH)2.H2O, a new pyroxene-related chain silicate from the
 N'chwaning mine, Kalahari manganese field, South Africa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              377
_journal_page_last               386
_journal_volume                  80
_journal_year                    1995
_chemical_compound_source        'N'chwaning mine, South Africa'
_chemical_formula_sum
'Al0.012 Ca0.008 Fe0.008 H4 Mg0.106 Mn1.85 O6 Si'
_chemical_name_mineral           Nchwaningite
_space_group_IT_number           29
_space_group_name_Hall           'P 2c -2ac'
_space_group_name_H-M_alt        'P c a 21'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.672
_cell_length_b                   7.217
_cell_length_c                   5.341
_cell_formula_units_Z            4
_cell_volume                     488.455
_database_code_amcsd             0001731
_exptl_crystal_density_diffrn    3.174
_cod_data_source_file            inputs/fixed/downloads/01/01753.cif
_cod_data_source_block           01753
_cod_original_formula_sum        'Mn1.85 Mg.106 Al.012 Fe.008 Ca.008 Si O6 H4'
_cod_database_code               9016767
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_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001731
