#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006421.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_2006421
_journal_name_full  'Acta Crystallographica'
_journal_year  1997
_journal_volume  C53
_journal_page_first  993
_journal_page_last  994
_publ_section_title
;
Cs~2~Mn~3~Te~4~
;
loop_
_publ_author_name
 'Wu, Eric J.'
 'Ibers, James A.'
_chemical_formula_sum  'Cs2 Mn3 Te4'
_chemical_formula_weight  941.04
_symmetry_cell_setting  'orthorhombic'
_symmetry_space_group_name_H-M  'I b a m'
_symmetry_space_group_name_Hall  '-I 2 2c'
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, z'
 '-x+1/2, y+1/2, -z'
 'x+1/2, -y+1/2, -z'
 'x+1/2, y+1/2, z+1/2'
 '-x+1/2, -y+1/2, z+1/2'
 '-x+1, y+1, -z+1/2'
 'x+1, -y+1, -z+1/2'
 '-x, -y, -z'
 'x, y, -z'
 'x-1/2, -y-1/2, z'
 '-x-1/2, y-1/2, z'
 '-x+1/2, -y+1/2, -z+1/2'
 'x+1/2, y+1/2, -z+1/2'
 'x, -y, z+1/2'
 '-x, y, z+1/2'
_cell_length_a  6.454(2)
_cell_length_b  12.752(4)
_cell_length_c  15.387(5)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  1266.3(7)
_cell_formula_units_Z  4
_cell_measurement_temperature  108(2)
_exptl_crystal_density_diffrn  4.936
_refine_ls_R_factor_obs   .0339
_refine_ls_wR_factor_obs   .0815
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
 Cs1  .23511(7)  .12217(3) 0  .01346(16) Uani d S 1 . Cs
 Mn1  .5 0  .25  .0100(3) Uani d S 1 . Mn
 Mn2 0  .24009(8)  .25  .0096(2) Uani d S 1 . Mn
 Te1  .23314(5)  .37052(2)  .14642(2)  .00973(15) Uani d . 1 . Te
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
 Cs1  .0112(3)  .0145(3)  .0147(3)  .00011(16)  .000  .000
 Mn1  .0087(7)  .0097(7)  .0115(6)  .000  .000  .000
 Mn2  .0048(5)  .0130(5)  .0110(4)  .000  .0004(3)  .000
 Te1  .0072(2)  .0113(2)  .0107(2)  .00125(11)  .00116(10)  .00127(10)
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
 Cs1 Te1 . 3.8865(10) yes
 Cs1 Te1 11_665 3.9263(10) yes
 Cs1 Te1 12_655 3.9262(10) yes
 Cs1 Te1 4_455 3.9471(10) yes
 Cs1 Cs1 9 4.3495(13) no
 Cs1 Mn2 10 4.4000(11) no
 Cs1 Mn1 . 4.4885(10) no
 Mn1 Te1 12_655 2.7442(6) yes
 Mn2 Te1 11_565 2.7379(7) yes
 Mn2 Te1 7_445 2.7515(8) yes
 Mn2 Mn2 13 3.2369(10) no