#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/29/9002901.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_9002901
loop_
_publ_author_name
'Bindi, L.'
'Safonov, O. G.'
'Yapaskurt, V. O.'
'Perchuk, L. L.'
'Menchetti, S.'
_publ_section_title
;Ultrapotassic clinopyroxene from the Kumdy-Kol microdiamond mine, Kokchetav
 Complex, Kazakhstan: Occurrence, composition and crystal-chemical
 characterization
;
_journal_name_full               'American Mineralogist'
_journal_page_first              464
_journal_page_last               468
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum
'Al Ca0.61 Fe0.13 K0.17 Mg0.43 Mn0.01 Na0.05 O6 Si1.61'
_chemical_name_mineral           Augite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.75
_cell_angle_gamma                90
_cell_length_a                   9.773
_cell_length_b                   8.926
_cell_length_c                   5.269
_cell_formula_units_Z            4
_cell_volume                     442.378
_database_code_amcsd             0002990
_exptl_crystal_density_diffrn    3.284
_cod_original_formula_sum
'Ca.61 Fe.13 Mg.43 Mn.01 K.17 Na.05 Al Si1.61 O6'
_cod_database_code               9002901
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-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
Ca2 0.00000 0.30131 0.25000 0.61000 0.01100
Fe2 0.00000 0.30131 0.25000 0.13000 0.01100
Mg2 0.00000 0.30131 0.25000 0.04000 0.01100
Mn2 0.00000 0.30131 0.25000 0.01000 0.01100
K2 0.00000 0.30131 0.25000 0.17000 0.01100
Na2 0.00000 0.30131 0.25000 0.05000 0.01100
Al1 0.00000 0.90339 0.25000 0.61000 0.00860
Mg1 0.00000 0.90339 0.25000 0.39000 0.00860
SiT 0.28752 0.09211 0.23187 0.80500 0.00680
AlT 0.28752 0.09211 0.23187 0.19500 0.00680
O1 0.11480 0.08670 0.14620 1.00000 0.01030
O2 0.36140 0.24960 0.32010 1.00000 0.01180
O3 0.34900 0.01910 0.98710 1.00000 0.01180
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002990
