data_2006463
_journal_name_full   'Acta Crystallographica'
_journal_year   1997
_journal_volume   C53
_journal_page_first   1170
_journal_page_last   1173
_publ_section_title
;
A Caesium Zinc Phosphate Constructed from Ladder-Like Four-Ring Chains
;
loop_
_publ_author_name
  'Pingyun Feng'
  'Xianhui Bu'
  'Galen D. Stucky'
_chemical_formula_sum   'Cs [Zn3 (H P O4)2 (P O4)]'
_chemical_formula_structural   'Cs [Zn3 (H P O4)2 (P O4)]'
_chemical_formula_weight   615.95
_symmetry_cell_setting   triclinic
_symmetry_space_group_name_H-M   'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a   5.1636(10)
_cell_length_b   8.0324(10)
_cell_length_c   14.8009(2)
_cell_angle_alpha   95.7960(10)
_cell_angle_beta   90.3150(10)
_cell_angle_gamma   108.0780(10)
_cell_volume   580.16(2)
_cell_formula_units_Z   2
_cell_measurement_temperature   293(2)
_exptl_crystal_density_diffrn   3.526
_diffrn_ambient_temperature   293(2)
_refine_ls_R_factor_obs  .0384
_refine_ls_wR_factor_obs  .0904
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  .22209(9)  .91733(6)  .25583(3)  .0231(2) Uani d . 1 . Cs
  Zn1  .48520(15)  .41967(9)  .13923(5)  .0114(2) Uani d . 1 . Zn
  Zn2  -.12889(15)  .15478(9)  .42969(5)  .0124(2) Uani d . 1 . Zn
  Zn3  -.12044(15)  .17928(9)  .04539(5)  .0119(2) Uani d . 1 . Zn
  P1  .6347(3)  .7802(2)  .06476(11)  .0098(3) Uani d . 1 . P
  P2  -.0578(3)  .3348(2)  .24729(11)  .0109(3) Uani d . 1 . P
  P3  -.3993(3)  -.2472(2)  .45939(11)  .0120(3) Uani d . 1 . P
  O1  .6329(10)  .6679(6)  .1423(3)  .0163(10) Uani d . 1 . O
  O2  .2734(9)  .3030(6)  .0252(3)  .0145(9) Uani d . 1 . O
  O3  .7780(9)  .3135(6)  .1557(3)  .0141(9) Uani d . 1 . O
  O4  .2241(9)  .3237(6)  .2283(3)  .0154(9) Uani d . 1 . O
  O5  .2655(9)  .2652(6)  .4509(3)  .0180(10) Uani d . 1 . O
  O6  -.3182(10)  .2339(7)  .5277(3)  .0216(11) Uani d . 1 . O
  O7  -.2142(10)  -.1021(6)  .4103(3)  .0203(11) Uani d . 1 . O
  O8  -.2138(9)  .2018(6)  .3086(3)  .0182(10) Uani d . 1 . O
  O9  -.3553(10)  .2012(7)  -.0486(3)  .0212(11) Uani d . 1 . O
  O10  -.1437(10)  -.0415(6)  .0902(3)  .0188(10) Uani d . 1 . O
  O11  -.0249(10)  .5269(6)  .2931(3)  .0208(11) Uani d . 1 . O
  O12  -.4284(9)  -.4225(6)  .3930(3)  .0178(10) Uani d . 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
  Cs1  .0228(3)  .0223(2)  .0211(3)  .0034(2)  .0009(2)  -.0001(2)
  Zn1  .0108(4)  .0111(3)  .0116(4)  .0025(3)  -.0002(3)  .0000(3)
  Zn2  .0115(4)  .0138(4)  .0107(4)  .0026(3)  .0007(3)  .0001(3)
  Zn3  .0105(4)  .0120(4)  .0121(4)  .0026(3)  -.0006(3)  -.0005(3)
  P1  .0093(7)  .0106(7)  .0084(7)  .0023(6)  -.0007(6)  -.0012(6)
  P2  .0100(8)  .0127(7)  .0086(8)  .0022(6)  -.0004(6)  -.0008(6)
  P3  .0110(8)  .0120(7)  .0121(8)  .0032(6)  .0011(6)  -.0019(6)
  O1  .023(3)  .012(2)  .011(2)  .001(2)  -.004(2)  .002(2)
  O2  .009(2)  .017(2)  .014(2)  .001(2)  -.001(2)  -.006(2)
  O3  .012(2)  .021(2)  .011(2)  .009(2)  .000(2)  .000(2)
  O4  .012(2)  .021(2)  .014(2)  .006(2)  .002(2)  .003(2)
  O5  .011(2)  .023(2)  .017(2)  -.001(2)  -.002(2)  .005(2)
  O6  .015(2)  .031(3)  .020(3)  .012(2)  -.001(2)  -.007(2)
  O7  .028(3)  .011(2)  .020(3)  .003(2)  .008(2)  .001(2)
  O8  .013(2)  .021(2)  .017(2)  -.001(2)  .002(2)  .006(2)
  O9  .016(2)  .040(3)  .012(2)  .017(2)  -.003(2)  -.003(2)
  O10  .024(3)  .011(2)  .018(2)  .001(2)  -.006(2)  -.001(2)
  O11  .025(3)  .014(2)  .022(3)  .004(2)  .004(2)  -.005(2)
  O12  .017(2)  .014(2)  .019(2)  .002(2)  .004(2)  -.007(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
  Cs1 O11 . 3.105(5) Y
  Cs1 O8 1_665 3.130(5) Y
  Cs1 O10 1_565 3.192(5) Y
  Cs1 O7 1_565 3.200(5) Y
  Cs1 O9 2_565 3.260(5) Y
  Cs1 O4 1_565 3.327(5) Y
  Cs1 O1 1_455 3.402(5) Y
  Cs1 O6 2_566 3.623(5) Y
  Cs1 O1 . 3.652(5) Y
  Cs1 O8 1_565 3.708(5) Y
  Cs1 O7 1_665 3.742(5) Y
  Cs1 O5 1_565 3.764(5) Y
  Zn1 O1 . 1.896(4) Y
  Zn1 O4 . 1.931(5) Y
  Zn1 O3 . 1.977(4) Y
  Zn1 O2 . 1.986(4) Y
  Zn1 Cs1 1_545 4.3743(9) ?
  Zn2 O6 . 1.918(5) Y
  Zn2 O8 . 1.943(5) Y
  Zn2 O7 . 1.962(5) Y
  Zn2 O5 . 1.962(5) Y
  Zn2 Cs1 1_545 3.8405(8) ?
  Zn2 Cs1 1_445 4.0544(9) ?
  Zn3 O9 . 1.897(5) Y
  Zn3 O10 . 1.924(5) Y
  Zn3 O2 . 2.006(4) Y
  Zn3 O3 1_455 2.027(4) Y
  Zn3 Cs1 2_565 4.4471(9) ?
  P1 O9 2_565 1.516(5) Y
  P1 O1 . 1.528(5) Y
  P1 O10 1_665 1.540(5) Y
  P1 O2 2_665 1.572(4) Y
  P1 Cs1 1_655 3.951(2) ?
  P2 O8 . 1.512(5) Y
  P2 O4 . 1.512(4) Y
  P2 O3 1_455 1.561(5) Y
  P2 O11 . 1.579(5) Y
  P2 Cs1 1_545 4.055(2) ?
  P2 Cs1 1_445 4.176(2) ?
  P3 O6 2_456 1.507(5) Y
  P3 O7 . 1.512(5) Y
  P3 O5 2_556 1.534(5) Y
  P3 O12 . 1.600(5) Y
  P3 Cs1 1_445 4.122(2) ?
  O1 Cs1 1_655 3.402(5) ?
  O2 P1 2_665 1.572(4) ?
  O3 P2 1_655 1.561(5) ?
  O3 Zn3 1_655 2.027(4) ?
  O4 Cs1 1_545 3.327(5) ?
  O5 P3 2_556 1.534(5) ?
  O5 Cs1 1_545 3.764(5) ?
  O6 P3 2_456 1.507(5) ?
  O6 Cs1 2_566 3.623(5) ?
  O7 Cs1 1_545 3.200(5) ?
  O7 Cs1 1_445 3.742(5) ?
  O8 Cs1 1_445 3.130(5) ?
  O8 Cs1 1_545 3.708(5) ?
  O9 P1 2_565 1.516(5) ?
  O9 Cs1 2_565 3.260(5) ?
  O10 P1 1_445 1.540(5) ?
  O10 Cs1 1_545 3.192(5) ?