#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2007194.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2007194
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1998
_journal_volume 54
_journal_page_first  445
_journal_page_last  447
_publ_section_title
;
Re-Refinement of \a-(AlMnSi)
;
loop_
_publ_author_name
  'Sugiyama, Kazumasa'
  'Kaji, Nobutaka'
  'Hiraga, Kenji'
_chemical_name_common  '\a-(AlMnSi)'
_chemical_formula_sum  'Al4 Mn1.01 Si0.74'
_chemical_formula_structural  'Al4.01 Mn1 Si0.74'
_chemical_formula_analytical  'Al4 Mn1.01 Si0.74'
_chemical_formula_weight  184.197
_symmetry_cell_setting  cubic
_symmetry_space_group_name_H-M  'P m -3'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, z'
  'x, -y, -z'
  '-x, y, -z'
  'z, x, y'
  'y, z, x'
  '-z, -x, y'
  '-y, z, -x'
  'z, -x, -y'
  '-y, -z, x'
  '-z, x, -y'
  'y, -z, -x'
  '-x, -y, -z'
  'x, y, -z'
  '-x, y, z'
  'x, -y, z'
  '-z, -x, -y'
  '-y, -z, -x'
  'z, x, -y'
  'y, -z, x'
  '-z, x, y'
  'y, z, -x'
  'z, -x, y'
  '-y, z, x'
_cell_length_a  12.6430(10)
_cell_length_b  12.6430(10)
_cell_length_c  12.6430(10)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  2020.9(3)
_cell_formula_units_Z  24
_cell_measurement_temperature  297(2)
_exptl_crystal_density_diffrn  3.632
_diffrn_ambient_temperature  297(2)
_refine_ls_R_factor_obs  .031
_refine_ls_wR_factor_obs  .057
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Mn(1)  .32631(4)  .19779(4) 0  .00780(11) Uiso d S 1 . Mn
  Mn(2)  .17925(4)  .30790(4)  .5  .00720(11) Uiso d S 1 . Mn
  Al(1)  .36784(13) 0 0  .0087(3) Uiso d S 1 . Al
  Al(2)  .12429(13)  .5  .5  .0096(3) Uiso d S 1 . Al
  Al(3)  .28966(12) 0  .5  .0104(5) Uiso d SP  .01(11) . Al
  Si(3)  .28966(12) 0  .5  .0104(5) Uiso d SP  .99(11) . Si
  Al(4)  .16552(9)  .10141(9) 0  .0077(3) Uiso d SP  .65(6) . Al
  Si(4)  .16552(9)  .10141(9) 0  .0077(3) Uiso d SP  .35(6) . Si
  Al(5)  .33611(8)  .40026(8)  .5  .0079(3) Uiso d SP  .37(6) . Al
  Si(5)  .33611(8)  .40026(8)  .5  .0079(3) Uiso d SP  .63(6) . Si
  Al(6)  .33135(9)  .40206(9) 0  .0103(2) Uiso d S 1 . Al
  Al(7)  .12387(9)  .11768(9)  .5  .0104(2) Uiso d S 1 . Al
  Al(8)  .11798(6)  .18860(6)  .29906(6)  .0098(2) Uiso d . 1 . Al
  Al(9)  .39074(6)  .31291(6)  .19617(6)  .0099(2) Uiso d . 1 . Al
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Mn(1) Al/Si(4) . 2.3701(13) yes
  Mn(1) Al/Si(3) 5 2.4843(10) yes
  Mn(1) Al(1) . 2.5552(7) yes
  Mn(1) Al(6) . 2.5834(13) yes
  Mn(1) Al(8) 19 2.6121(9) yes
  Mn(1) Al(8) 5 2.6121(9) ?
  Mn(1) Al(8) 22 2.6260(10) yes
  Mn(1) Al(8) 6 2.6260(10) ?
  Mn(1) Al(7) 5 2.8124(9) yes
  Mn(1) Al(7) 19 2.8124(9) ?
  Mn(1) Al(9) . 2.9890(9) yes
  Mn(1) Al(9) 14 2.9890(9) ?
  Mn(2) Al/Si(5) . 2.3014(12) yes
  Mn(2) Al(7) . 2.5049(13) yes
  Mn(2) Al(2) . 2.5262(8) yes
  Mn(2) Al(9) 19_556 2.5958(9) yes
  Mn(2) Al(9) 5 2.5958(9) ?
  Mn(2) Al(6) 5 2.5995(8) yes
  Mn(2) Al(6) 19_556 2.5995(8) ?
  Mn(2) Al(9) 6 2.5999(10) yes
  Mn(2) Al(9) 22_556 2.5999(10) ?
  Mn(2) Al(8) . 3.0544(9) yes
  Mn(2) Al(8) 14_556 3.0544(9) ?
  Al(1) Mn(1) . 2.5552(7) ?
  Al(1) Mn(1) 3 2.5552(7) ?
  Al(1) Al(7) 5 2.7310(14) yes
  Al(1) Al(7) 7_655 2.7310(14) ?
  Al(1) Al(7) 17_655 2.7310(14) ?
  Al(1) Al(7) 19 2.7310(14) ?
  Al(1) Al/Si(4) 3 2.861(2) yes
  Al(1) Al/Si(4) . 2.861(2) ?
  Al(1) Al(8) 9 2.9440(10) yes
  Al(1) Al(8) 5 2.9440(10) ?
  Al(1) Al(8) 19 2.9440(10) ?
  Al(1) Al(8) 23 2.9440(10) ?
  Al(1) Al(1) 13_655 3.342(3) yes
  Al(2) Mn(2) . 2.5262(8) ?
  Al(2) Mn(2) 3_566 2.5262(8) ?
  Al(2) Al(9) 9_566 2.8861(10) yes
  Al(2) Al(9) 5 2.8861(10) ?
  Al(2) Al(9) 19_556 2.8861(10) ?
  Al(2) Al(9) 23_565 2.8861(10) ?
  Al(2) Al(6) 5 2.9240(14) yes
  Al(2) Al(6) 17_566 2.9240(14) ?
  Al(2) Al(6) 7_565 2.9240(14) ?
  Al(2) Al(6) 19_556 2.9240(14) ?
  Al(2) Al/Si(5) 3_566 2.960(2) yes
  Al(2) Al/Si(5) . 2.960(2) ?
  Al(2) Al/Si(3) 6 3.089(2) yes
  Al(2) Al/Si(3) 18_566 3.089(2) ?
  Al(2) Al(2) 13_566 3.143(3) yes
  Al/Si(3) Mn(1) 22_556 2.4843(10) ?
  Al/Si(3) Mn(1) 6 2.4843(10) ?
  Al/Si(3) Al(6) 22_556 2.5625(15) yes
  Al/Si(3) Al(6) 6 2.5625(15) ?
  Al/Si(3) Al(7) 3_556 2.570(2) yes
  Al/Si(3) Al(7) . 2.570(2) ?
  Al/Si(3) Al(9) 22_556 2.8542(9) yes
  Al/Si(3) Al(9) 6 2.8542(9) ?
  Al/Si(3) Al(9) 20 2.8542(9) ?
  Al/Si(3) Al(9) 12_556 2.8542(9) ?
  Al/Si(3) Al(2) 5 3.089(2) ?
  Al/Si(3) Al(2) 17_656 3.089(2) ?
  Al/Si(4) Mn(1) . 2.3701(13) ?
  Al/Si(4) Al/Si(4) 3 2.564(2) yes
  Al/Si(4) Al/Si(4) 22 2.5846(13) yes
  Al/Si(4) Al/Si(4) 19 2.5846(13) ?
  Al/Si(4) Al/Si(4) 6 2.5846(13) ?
  Al/Si(4) Al/Si(4) 5 2.5846(13) ?
  Al/Si(4) Al(1) . 2.861(2) ?
  Al/Si(4) Al(8) 6 2.9249(13) yes
  Al/Si(4) Al(8) 22 2.9249(13) ?
  Al/Si(4) Al(8) 5 2.9293(10) ?
  Al/Si(4) Al(8) 19 2.9293(10) ?
  Al/Si(5) Mn(2) . 2.3014(12) ?
  Al/Si(5) Al/Si(5) 3_566 2.522(2) yes
  Al/Si(5) Al/Si(5) 22_556 2.5577(13) yes
  Al/Si(5) Al/Si(5) 19_556 2.5577(12) ?
  Al/Si(5) Al/Si(5) 6 2.5577(12) ?
  Al/Si(5) Al/Si(5) 5 2.5577(12) ?
  Al/Si(5) Al(9) 6 2.9414(13) yes
  Al/Si(5) Al(9) 22_556 2.9414(13) ?
  Al/Si(5) Al(9) 5 2.9563(11) yes
  Al/Si(5) Al(9) 19_556 2.9563(11) ?
  Al/Si(5) Al(2) . 2.960(2) ?
  Al(6) Al(6) 3_565 2.477(2) yes
  Al(6) Al/Si(3) 5 2.5625(15) ?
  Al(6) Mn(1) . 2.5834(13) ?
  Al(6) Mn(2) 6 2.5995(8) ?
  Al(6) Mn(2) 22 2.5995(8) ?
  Al(6) Al(8) 22 2.6791(13) yes
  Al(6) Al(8) 6 2.6791(13) ?
  Al(6) Al(9) . 2.8259(10) yes
  Al(6) Al(9) 14 2.8259(10) ?
  Al(6) Al(2) 6 2.9240(14) ?
  Al(6) Al(2) 18_665 2.9240(14) ?
  Al(6) Al(7) 22 3.3592(15) yes
  Al(6) Al(7) 6 3.3592(15) ?
  Al(7) Mn(2) . 2.5049(13) ?
  Al(7) Al/Si(3) . 2.570(2) ?
  Al(7) Al(8) . 2.6952(9) yes
  Al(7) Al(8) 14_556 2.6952(9) ?
  Al(7) Al(1) 6 2.7310(14) ?
  Al(7) Al(1) 18_556 2.7310(14) ?
  Al(7) Mn(1) 22_556 2.8124(9) ?
  Al(7) Mn(1) 6 2.8124(9) ?
  Al(7) Al(9) 22_556 2.9335(13) yes
  Al(7) Al(9) 6 2.9335(13) ?
  Al(7) Al(7) 3_556 2.976(2) yes
  Al(7) Al(7) 15 3.132(2) yes
  Al(7) Al(6) 19_556 3.3592(15) ?
  Al(7) Al(6) 5 3.3592(15) ?
  Al(8) Mn(1) 6 2.6121(9) ?
  Al(8) Mn(1) 5 2.6260(10) ?
  Al(8) Al(6) 5 2.6791(13) ?
  Al(8) Al(7) . 2.6952(9) ?
  Al(8) Al(9) 6 2.7252(11) yes
  Al(8) Al(9) 5 2.7458(11) yes
  Al(8) Al(8) 5 2.8266(14) yes
  Al(8) Al(8) 6 2.8266(14) ?
  Al(8) Al/Si(4) 5 2.9249(13) ?
  Al(8) Al/Si(4) 6 2.9293(10) ?
  Al(8) Al(1) 6 2.9440(10) ?
  Al(8) Al(8) 15 2.983(2) yes
  Al(8) Al(2) . 3.0544(9) ?
  Al(9) Mn(2) 6 2.5958(9) ?
  Al(9) Mn(2) 5 2.5999(10) ?
  Al(9) Al(8) 5 2.7252(11) ?
  Al(9) Al(8) 6 2.7458(11) ?
  Al(9) Al(9) 15_655 2.763(2) yes
  Al(9) Al(6) . 2.8259(10) ?
  Al(9) Al/Si(3) 5 2.8542(9) ?
  Al(9) Al(2) 6 2.8861(10) ?
  Al(9) Al(7) 5 2.9335(13) ?
  Al(9) Al/Si(5) 5 2.9414(13) ?
  Al(9) Al/Si(5) 6 2.9563(11) ?
  Al(9) Mn(1) . 2.9890(9) ?
  Al(9) Al(9) 6 3.0329(14) yes
  Al(9) Al(9) 5 3.0329(14) ?
_cod_database_code 2007194