#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012414.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_2012414
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  i18
_journal_page_last  i20
_publ_section_title
;
Monoclinic AlPO~4~ tridymite at 473 and 463 K, from X-ray powder data
;
loop_
_publ_author_name
  'Graetsch, Heribert A.'
_chemical_formula_moiety  'O4 P Al'
_chemical_formula_sum  'Al O4 P'
_chemical_formula_structural  'Al P O4'
_chemical_formula_iupac  'Al P O4'
_chemical_formula_weight  121.95
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 1 21'
_symmetry_space_group_name_Hall  'P 1 1 2~c~'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1 x,y,z
  2 -x,-y,1/2+z
_cell_length_a  5.0803(2)
_cell_length_b  5.0703(2)
_cell_length_c  8.2992(3)
_cell_angle_alpha  90.0
_cell_angle_beta  90.0
_cell_angle_gamma  119.6037(3)
_cell_volume  185.868(13)
_cell_formula_units_Z  2
_cell_measurement_temperature  463
_exptl_crystal_density_diffrn  2.1790(10)
_diffrn_ambient_temperature  473
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_occupancy
_atom_site_type_symbol
  Al .3515(13) .6324(11) .06250 .040(10)
  Uani 1 Al
  P .3152(12) .7015(11) .4368(4) .040(10)
  Uani 1 P
  O1 .3347(16) .6661(18) .2616(5) .100(10)
  Uani 1 O
  O2 .537(3) -.027(2) -.0237(11) .090(10)
  Uani 1 O
  O3 .005(2) .443(3) -.0149(13) .130(10)
  Uani 1 O
  O4 .536(3) .441(3) .0247(9) .110(10)
  Uani 1 O
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
  Al .039(5) .040(5) .051(4) .012(7) -.022(7) -.016(8)
  P .042(4) .038(4) .033(4) .020(3) .007(6) .002(6)
  O1 .130(10)
  .15(2) .014(4) .070(7) .03(2)  .00(2)
  O2 .18(2) .06(2) .05(2) .06(2) .03(2) .020(10)
  O3 .030(10)
  .12(2) .17(2) .020(10)
  -.050(10)
  -.04(2)
  O4 .16(2) .13(2) .12(2) .13(2) .01(2) -.02(2)
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
  Al O1 . 1.668(5) no
  Al O2 1_565 1.667(10) no
  Al O3 . 1.662(9) no
  Al O4 . 1.679(11) no
  O1 O2 1_565 2.74(2) no
  O1 O3 . 2.74(2) no
  O1 O4 . 2.71(2) no
  O2 O3 1_545 2.71(2) no
  O2 O4 1_545 2.73(2) no
  O3 O4 . 2.72(2) no
  P O1 . 1.474(6) no
  P O2 2_665 1.473(10) no
  P O3 2_565 1.472(8) no
  P O4 2_665 1.472(10) no
  O1 O2 2_665 2.40(2) no
  O1 O3 2_565 2.41(2) no
  O1 O4 2_665 2.42(2) no
  O2 O3 1_655 2.40(2) no
  O2 O4 . 2.41(2) no
  O3 O4 1_455 2.40(2) no
  Al P . 3.142(4) no
  Al P 2_564 3.124(6) no
  Al P 2_664 3.107(6) no
  Al P 2_674 3.116(7) no
_cod_database_code 2012414