#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/03/9000387.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_9000387
loop_
_publ_author_name
'Wenk, H. R.'
_publ_section_title
;
 Howieite, a new type of chain silicate
;
_journal_name_full               'American Mineralogist'
_journal_page_first              86
_journal_page_last               97
_journal_volume                  59
_journal_year                    1974
_chemical_formula_sum
'Al0.62 Fe8 Mg0.45 Mn2.98 Na O44 Si11.92 Ti0.08'
_chemical_name_mineral           Howieite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.22
_cell_angle_beta                 70.76
_cell_angle_gamma                108.09
_cell_length_a                   10.170
_cell_length_b                   9.774
_cell_length_c                   9.589
_cell_formula_units_Z            1
_cell_volume                     851.947
_database_code_amcsd             0000396
_exptl_crystal_density_diffrn    3.321
_cod_original_formula_sum        'Si11.92 Ti.08 Fe8 Mn2.98 Mg.45 Al.62 Na O44'
_cod_database_code               9000387
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Si11 -0.27392 0.08663 0.01664 0.96000
Ti11 -0.27392 0.08663 0.01664 0.04000
Si12 -0.27312 0.07690 0.32831 1.00000
Si21 0.00065 0.22071 0.41972 1.00000
Si22 -0.00205 0.21802 -0.26243 1.00000
Si31 0.27037 0.33955 -0.16660 1.00000
Si32 0.27346 0.34722 0.14394 1.00000
Fe11 -0.45599 0.29345 0.23699 1.00000
Fe12 -0.46434 0.26095 -0.42833 1.00000
Fe13 -0.46138 0.27582 -0.09654 1.00000
Fe21 -0.15485 0.42838 0.30607 1.00000
Mn22 -0.15716 0.42405 -0.36488 0.69500
Mg22 -0.15716 0.42405 -0.36488 0.22500
Al22 -0.15716 0.42405 -0.36488 0.08000
Mn23 -0.14897 0.43047 -0.03362 0.79500
Al23 -0.14897 0.43047 -0.03362 0.23000
Na 0.00000 0.00000 0.00000 1.00000
O11 0.41400 0.05240 -0.02560 1.00000
O12 0.36270 0.07550 0.31530 1.00000
O13 0.39600 0.07230 -0.41000 1.00000
O21 -0.31790 0.23210 0.02480 1.00000
O22 -0.32850 0.21760 0.35970 1.00000
O23 -0.34080 0.22440 -0.31330 1.00000
O31 -0.03610 0.38320 0.09890 1.00000
O32 -0.02770 0.37420 0.42930 1.00000
O33 -0.03000 0.37140 -0.24810 1.00000
O41 0.26510 -0.48920 0.16040 1.00000
O42 0.28570 -0.45870 0.48570 1.00000
O43 0.26760 -0.49600 -0.17900 1.00000
O51 -0.43130 -0.32490 0.24040 1.00000
O52 -0.44840 -0.34620 -0.45300 1.00000
O53 -0.43640 -0.34140 -0.10710 1.00000
O61 -0.12880 0.09960 0.37810 1.00000
O62 -0.13420 0.09520 -0.13510 1.00000
O71 0.16010 0.23910 0.29380 1.00000
O72 0.15060 0.23000 -0.23380 1.00000
O8 -0.20840 0.07030 0.14780 1.00000
O9 0.00470 0.16310 -0.42390 1.00000
O10 0.20940 0.27820 0.01070 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000396
