#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/12/9001239.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_9001239
loop_
_publ_author_name
'Ghose, S.'
'Yang, H.'
_publ_section_title
;
 Mn-Mg distribution in a C2/m manganoan cummingtonite: Crystal-chemical
 considerations
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1091
_journal_page_last               1096
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Ca0.24 H2 Mg4.514 Mn2.246 O24 Si8'
_chemical_name_mineral           Cummingtonite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.642
_cell_angle_gamma                90
_cell_length_a                   9.6045
_cell_length_b                   18.1244
_cell_length_c                   5.3251
_cell_formula_units_Z            2
_cell_volume                     904.498
_database_code_amcsd             0001266
_exptl_crystal_density_diffrn    3.133
_cod_original_formula_sum        'Mn2.246 Mg4.514 Ca.24 Si8 O24 H2'
_cod_database_code               9001239
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-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
Mn1 0.00000 0.08680 0.50000 0.15000 ?
Mg1 0.00000 0.08680 0.50000 0.85000 ?
Mn2 0.00000 0.17690 0.00000 0.10600 ?
Mg2 0.00000 0.17690 0.00000 0.89400 ?
Mn3 0.00000 0.00000 0.00000 0.06200 ?
Mg3 0.00000 0.00000 0.00000 0.93800 ?
Ca4 0.00000 0.26350 0.50000 0.12000 ?
Mn4 0.00000 0.26350 0.50000 0.83600 ?
Mg4 0.00000 0.26350 0.50000 0.04400 ?
Si1 0.29510 0.16990 0.78390 1.00000 ?
Si2 0.28680 0.08420 0.27760 1.00000 ?
O1 0.11430 0.08600 0.21220 1.00000 ?
O2 0.12140 0.17210 0.71790 1.00000 ?
O3 0.11350 0.00000 0.71220 1.00000 ?
O4 0.37450 0.24700 0.77590 1.00000 ?
O5 0.34920 0.12980 0.06550 1.00000 ?
O6 0.34940 0.12150 0.55750 1.00000 ?
O7 0.34440 0.00000 0.28030 1.00000 ?
H 0.19500 0.00000 0.78700 1.00000 0.00190
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001266
